
#=======================================================================
data_global
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 25/10/2015'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic            ?
_journal_date_to_coeditor                ?
_journal_date_from_coeditor              ?
_journal_date_accepted                   ?
_journal_date_printers_first             ?
_journal_date_printers_final             ?
_journal_date_proofs_out                 ?
_journal_date_proofs_in                  ?
_journal_coeditor_name                   ?
_journal_coeditor_code                   ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code                 ?
_journal_paper_category                  ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                      ?
_journal_name_full                       'Dalton Transactions'
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name                'Dr. Oliver Janka'
_publ_contact_author_address     
;Institut für Anorganische und Analytische Chemie
Corrensstrasse 30
48149 Münster
;
_publ_contact_author_email       ocjanka@uni-muenster.de
_publ_contact_author_phone       '0049 251 83-36047'
_publ_contact_author_fax         '0049 251 83-36002'

_publ_requested_journal                  'Dalton Trans.'
_publ_requested_category                 ?

_publ_contact_letter
; ?
;

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;
loop_
 _publ_author_name
 _publ_author_address
      'Christopher Benndorf, MSc.'
;      Institut für Anorganische und Analytische Chemie
       Institut für Physikalische Chemie
       Westfälische Wilhelms-Universität Münster
       Corrensstrasse 28/30
       48149 Münster
       Bundesrepublik Deutschland
;
      'Prof. Dr. Hellmut Eckert'
;      Institut für Anorganische und Analytische Chemie
       Institut für Physikalische Chemie
       Westfälische Wilhelms-Universität Münster
       Corrensstrasse 28/30
       48149 Münster
       Bundesrepublik Deutschland
;
      'Dr. Oliver Janka'
;      Institut für Anorganische und Analytische Chemie
       Westfälische Wilhelms-Universität Münster
       Corrensstrasse 28/30
       48149 Münster
       Bundesrepublik Deutschland
;
#=======================================================================

# 4. TEXT

_publ_section_synopsis
; ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_introduction
; ?
;
_publ_section_experimental
; ?
;
_publ_section_exptl_prep
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_exptl_solution
; ?
;
_publ_section_discussion
; ?
;
_publ_section_acknowledgements
; ?
;
_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
#Crystal Impact GbR, Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3.
#Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods
#and Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R.
#SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103


# use this reference if SIR2011 was used for solving of the structure
#Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano,
#G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R.
#SIR2011: a new package for crystal structure determination and refinement,
#J.Appl.Cryst. (2012) 45, 357-361

# enable this reference if bond valences were calculated
#Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

# enable this reference if Xshape wase used for crystal shape refinement
#Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


# enable this reference if Flack coefficient was refined
#Flack, H. D. (1983). Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions
; ?
;
_publ_section_table_legends
; ?
;

#=======================================================================
data_I
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Al2.72 Lu10 Ni1.28'
_chemical_formula_weight                 1898.2
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   hexagonal
_symmetry_space_group_name_H-M           'P 63/m m c'
_symmetry_space_group_name_Hall          '-P 6c;-2c'
_symmetry_Int_Tables_number              194

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -y,x-y,z
 3   -x+y,-x,z
 4   -x,-y,z+1/2
 5   y,-x+y,z+1/2
 6   x-y,x,z+1/2
 7   y,x,-z
 8   x-y,-y,-z
 9   -x,-x+y,-z
 10  -y,-x,-z+1/2
 11  -x+y,y,-z+1/2
 12  x,x-y,-z+1/2
 13  -x,-y,-z
 14  y,-x+y,-z
 15  x-y,x,-z
 16  x,y,-z+1/2
 17  -y,x-y,-z+1/2
 18  -x+y,-x,-z+1/2
 19  -y,-x,z
 20  -x+y,y,z
 21  x,x-y,z
 22  y,x,z+1/2
 23  x-y,-y,z+1/2
 24  -x,-x+y,z+1/2

_cell_length_a                           9.2985(4)
_cell_length_b                           9.2985(4)
_cell_length_c                           9.2702(4)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        120
_cell_volume                             694.14(5)

loop_
 _twin_individual_id
 _twin_individual_mass_fraction_refined
 _twin_individual_twin_matrix_11
 _twin_individual_twin_matrix_12
 _twin_individual_twin_matrix_13
 _twin_individual_twin_matrix_21
 _twin_individual_twin_matrix_22
 _twin_individual_twin_matrix_23
 _twin_individual_twin_matrix_31
 _twin_individual_twin_matrix_32
 _twin_individual_twin_matrix_33
 ? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z                    2

_cell_measurement_reflns_used            11714
_cell_measurement_theta_min              2.53
_cell_measurement_theta_max              35.10
_cell_measurement_temperature            293
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            9.0819
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     1561

_exptl_absorpt_coefficient_mu            72.168
_exptl_crystal_description               block
_exptl_crystal_size_max                  0.050
_exptl_crystal_size_mid                  0.040
_exptl_crystal_size_min                  0.040
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    silver
_exptl_absorpt_correction_type           Gaussian
_exptl_absorpt_process_details
 'Jana2006'
_exptl_absorpt_correction_T_min          0.2603
_exptl_absorpt_correction_T_max          0.4994
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
-2 -1 30 0.0087
8 -15 -12 0.0135
16 5 -30 0.0085
-15 8 2 0.0056
15 -15 4 0.0065
-24 30 23 0.0113
4 3 -30 0.0052
30 1 11 0.0104
-15 13 -7 0.0058
-7 -15 15 0.0089
30 -22 -5 0.0072

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              293
_diffrn_source                           ?
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'X-ray tube'
_diffrn_radiation_wavelength             0.71073
_diffrn_radiation_monochromator          graphite
_diffrn_measurement_device               'four-circle diffractometer'
_diffrn_measurement_device_type          'IPDS Stoe'
_diffrn_detector                         ?
_diffrn_detector_area_resol_mean         ?
_diffrn_measurement_method               '??integration method??'
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    16644
_diffrn_reflns_theta_min                 2.53
_diffrn_reflns_theta_max                 34.94
_diffrn_reflns_theta_full                34.94
_diffrn_measured_fraction_theta_max      1
_diffrn_measured_fraction_theta_full     1
_diffrn_reflns_av_R_equivalents          0.0768
_diffrn_reflns_av_unetI/netI             0.0142
_diffrn_reflns_limit_h_min               -14
_diffrn_reflns_limit_h_max               14
_diffrn_reflns_limit_k_min               -14
_diffrn_reflns_limit_k_max               14
_diffrn_reflns_limit_l_min               -14
_diffrn_reflns_limit_l_max               14
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

_diffrn_radiation_probe                  X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     610
_reflns_number_gt                        495
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         Fsqd
_refine_ls_R_factor_gt                   0.0245
_refine_ls_wR_factor_gt                  0.0495
_refine_ls_R_factor_all                  0.0371
_refine_ls_wR_factor_ref                 0.0516
_refine_ls_goodness_of_fit_ref           1.52
_refine_ls_goodness_of_fit_gt            1.62
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 610
_refine_ls_number_parameters             21
_refine_ls_number_restraints             0
_refine_ls_number_constraints            4
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(I)+0.0004I²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0016
_refine_ls_shift/su_mean                 0.0002
_refine_diff_density_max                 2.83
_refine_diff_density_min                 -3.47
_refine_ls_extinction_method
 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef               2160(190)
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Al   0.0645  0.0514
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Lu  -0.4720  5.8584
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Ni   0.3393  1.1124
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection               ?
_computing_cell_refinement               ?
_computing_data_reduction                ?
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

loop_
 _restr_distance_atom_site_label_1
 _restr_distance_site_symmetry_1
 _restr_distance_atom_site_label_2
 _restr_distance_site_symmetry_2
 _restr_distance_target
 _restr_distance_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_angle_atom_site_label_1
 _restr_angle_site_symmetry_1
 _restr_angle_atom_site_label_2
 _restr_angle_site_symmetry_2
 _restr_angle_atom_site_label_3
 _restr_angle_site_symmetry_3
 _restr_angle_target
 _restr_angle_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_torsion_atom_site_label_1
 _restr_torsion_site_symmetry_1
 _restr_torsion_atom_site_label_2
 _restr_torsion_site_symmetry_2
 _restr_torsion_atom_site_label_3
 _restr_torsion_site_symmetry_3
 _restr_torsion_atom_site_label_4
 _restr_torsion_site_symmetry_4
 _restr_torsion_angle_target
 _restr_torsion_weight_param
 ? ? ? ? ? ? ? ? ? ?

loop_
 _restr_equal_distance_atom_site_label_1
 _restr_equal_distance_site_symmetry_1
 _restr_equal_distance_atom_site_label_2
 _restr_equal_distance_site_symmetry_2
 _restr_equal_distance_class_class_id
 _restr_equal_distance_class_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_equal_angle_atom_site_label_1
 _restr_equal_angle_site_symmetry_1
 _restr_equal_angle_atom_site_label_2
 _restr_equal_angle_site_symmetry_2
 _restr_equal_angle_atom_site_label_3
 _restr_equal_angle_site_symmetry_3
 _restr_equal_angle_class_class_id
 _restr_equal_angle_class_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_equal_torsion_atom_site_label_1
 _restr_equal_torsion_site_symmetry_1
 _restr_equal_torsion_atom_site_label_2
 _restr_equal_torsion_site_symmetry_2
 _restr_equal_torsion_atom_site_label_3
 _restr_equal_torsion_site_symmetry_3
 _restr_equal_torsion_atom_site_label_4
 _restr_equal_torsion_site_symmetry_4
 _restr_equal_torsion_class_class_id
 _restr_equal_torsion_class_target_weight_param
 ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Lu1 Lu 0.20762(2) 0.41524(4) 0.05997(4) Uani 0.00813(11) 12 1 d . . .
  Lu2 Lu 0.54279(3) 0.08557(7) 0.25 Uani 0.00888(14) 6 1 d . . .
  Lu3 Lu 0 0 0 Uani 0.0120(2) 2 1 d . . .
  Ni1 Ni 0.333333 0.666667 0.25 Uani 0.0085(6) 2 1 d . . .
  Al2 Al 0.2280(5) 0.1140(3) 0.25 Uani 0.0145(14) 6 0.92(2) d . . .
  Ni2 Ni 0.2280(5) 0.1140(3) 0.25 Uani 0.0145(14) 6 0.08(2) d . . .


loop_
 _jana_atom_site_ADP_C_label
 _jana_atom_site_ADP_C_type_symbol
 _jana_atom_site_ADP_C_111
 _jana_atom_site_ADP_C_112
 _jana_atom_site_ADP_C_113
 _jana_atom_site_ADP_C_122
 _jana_atom_site_ADP_C_123
 _jana_atom_site_ADP_C_133
 _jana_atom_site_ADP_C_222
 _jana_atom_site_ADP_C_223
 _jana_atom_site_ADP_C_233
 _jana_atom_site_ADP_C_333
 ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_D_label
 _jana_atom_site_ADP_D_type_symbol
 _jana_atom_site_ADP_D_1111
 _jana_atom_site_ADP_D_1112
 _jana_atom_site_ADP_D_1113
 _jana_atom_site_ADP_D_1122
 _jana_atom_site_ADP_D_1123
 _jana_atom_site_ADP_D_1133
 _jana_atom_site_ADP_D_1222
 _jana_atom_site_ADP_D_1223
 _jana_atom_site_ADP_D_1233
 _jana_atom_site_ADP_D_1333
 _jana_atom_site_ADP_D_2222
 _jana_atom_site_ADP_D_2223
 _jana_atom_site_ADP_D_2233
 _jana_atom_site_ADP_D_2333
 _jana_atom_site_ADP_D_3333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_E_label
 _jana_atom_site_ADP_E_type_symbol
 _jana_atom_site_ADP_E_11111
 _jana_atom_site_ADP_E_11112
 _jana_atom_site_ADP_E_11113
 _jana_atom_site_ADP_E_11122
 _jana_atom_site_ADP_E_11123
 _jana_atom_site_ADP_E_11133
 _jana_atom_site_ADP_E_11222
 _jana_atom_site_ADP_E_11223
 _jana_atom_site_ADP_E_11233
 _jana_atom_site_ADP_E_11333
 _jana_atom_site_ADP_E_12222
 _jana_atom_site_ADP_E_12223
 _jana_atom_site_ADP_E_12233
 _jana_atom_site_ADP_E_12333
 _jana_atom_site_ADP_E_13333
 _jana_atom_site_ADP_E_22222
 _jana_atom_site_ADP_E_22223
 _jana_atom_site_ADP_E_22233
 _jana_atom_site_ADP_E_22333
 _jana_atom_site_ADP_E_23333
 _jana_atom_site_ADP_E_33333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_F_label
 _jana_atom_site_ADP_F_type_symbol
 _jana_atom_site_ADP_F_111111
 _jana_atom_site_ADP_F_111112
 _jana_atom_site_ADP_F_111113
 _jana_atom_site_ADP_F_111122
 _jana_atom_site_ADP_F_111123
 _jana_atom_site_ADP_F_111133
 _jana_atom_site_ADP_F_111222
 _jana_atom_site_ADP_F_111223
 _jana_atom_site_ADP_F_111233
 _jana_atom_site_ADP_F_111333
 _jana_atom_site_ADP_F_112222
 _jana_atom_site_ADP_F_112223
 _jana_atom_site_ADP_F_112233
 _jana_atom_site_ADP_F_112333
 _jana_atom_site_ADP_F_113333
 _jana_atom_site_ADP_F_122222
 _jana_atom_site_ADP_F_122223
 _jana_atom_site_ADP_F_122233
 _jana_atom_site_ADP_F_122333
 _jana_atom_site_ADP_F_123333
 _jana_atom_site_ADP_F_133333
 _jana_atom_site_ADP_F_222222
 _jana_atom_site_ADP_F_222223
 _jana_atom_site_ADP_F_222233
 _jana_atom_site_ADP_F_222333
 _jana_atom_site_ADP_F_223333
 _jana_atom_site_ADP_F_233333
 _jana_atom_site_ADP_F_333333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  Lu1 Lu1 . 2_665 3.5068(6) ?
  Lu1 Lu1 . 3_565 3.5068(6) ?
  Lu1 Lu1 . 7_555 3.5239(6) ?
  Lu1 Lu1 . 9_555 3.5238(5) ?
  Lu1 Lu1 . 11_555 3.5232(6) ?
  Lu1 Lu2 . 2_555 3.4281(7) ?
  Lu1 Lu2 . 3_665 3.4281(7) ?
  Lu1 Lu2 . 5_564 3.5068(6) ?
  Lu1 Lu2 . 6_554 3.5068(5) ?
  Lu1 Lu3 . . 3.3897(5) ?
  Lu1 Ni1 . . 2.6838(4) ?
  Lu1 Al2 . . 3.394(3) ?
  Lu1 Al2 . 2_555 3.394(2) ?
  Lu1 Al2 . 6_554 3.2450(19) ?
  Lu1 Ni2 . . 3.394(3) ?
  Lu1 Ni2 . 2_555 3.394(2) ?
  Lu1 Ni2 . 6_554 3.2450(19) ?
  Lu2 Lu2 . 2_655 3.4557(7) ?
  Lu2 Lu2 . 3_665 3.4557(8) ?
  Lu2 Ni1 . 1_545 3.3733(7) ?
  Lu2 Al2 . . 3.068(5) ?
  Lu2 Al2 . 2_655 3.068(3) ?
  Lu2 Ni2 . . 3.068(5) ?
  Lu2 Ni2 . 2_655 3.068(3) ?
  Lu3 Al2 . . 2.957(3) ?
  Lu3 Al2 . 2_555 2.957(3) ?
  Lu3 Al2 . 3_555 2.957(3) ?
  Lu3 Al2 . 4_554 2.957(3) ?
  Lu3 Al2 . 5_554 2.957(3) ?
  Lu3 Al2 . 6_554 2.957(3) ?
  Lu3 Ni2 . . 2.957(3) ?
  Lu3 Ni2 . 2_555 2.957(3) ?
  Lu3 Ni2 . 3_555 2.957(3) ?
  Lu3 Ni2 . 4_554 2.957(3) ?
  Lu3 Ni2 . 5_554 2.957(3) ?
  Lu3 Ni2 . 6_554 2.957(3) ?
  Al2 Al2 . 2_555 3.180(6) ?
  Al2 Al2 . 3_555 3.180(4) ?
  Al2 Ni2 . 2_555 3.180(6) ?
  Al2 Ni2 . 3_555 3.180(4) ?
  Ni2 Ni2 . 2_555 3.180(6) ?
  Ni2 Ni2 . 3_555 3.180(4) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  Lu1 Lu1 Lu1 2_665 . 3_565 60.000(13) ?
  Lu1 Lu1 Lu1 2_665 . 7_555 90.000(11) ?
  Lu1 Lu1 Lu1 2_665 . 9_555 145.264(16) ?
  Lu1 Lu1 Lu1 2_665 . 11_555 90.000(10) ?
  Lu1 Lu1 Lu2 2_665 . 2_555 109.920(16) ?
  Lu1 Lu1 Lu2 2_665 . 3_665 59.238(10) ?
  Lu1 Lu1 Lu2 2_665 . 5_564 89.582(13) ?
  Lu1 Lu1 Lu2 2_665 . 6_554 59.999(9) ?
  Lu1 Lu1 Lu3 2_665 . . 148.682(14) ?
  Lu1 Lu1 Ni1 2_665 . . 49.206(8) ?
  Lu1 Lu1 Al2 2_665 . . 112.63(6) ?
  Lu1 Lu1 Al2 2_665 . 2_555 148.58(3) ?
  Lu1 Lu1 Al2 2_665 . 6_554 113.73(6) ?
  Lu1 Lu1 Ni2 2_665 . . 112.63(6) ?
  Lu1 Lu1 Ni2 2_665 . 2_555 148.58(3) ?
  Lu1 Lu1 Ni2 2_665 . 6_554 113.73(6) ?
  Lu1 Lu1 Lu1 3_565 . 7_555 145.264(11) ?
  Lu1 Lu1 Lu1 3_565 . 9_555 90.000(13) ?
  Lu1 Lu1 Lu1 3_565 . 11_555 90.000(13) ?
  Lu1 Lu1 Lu2 3_565 . 2_555 59.238(13) ?
  Lu1 Lu1 Lu2 3_565 . 3_665 109.920(12) ?
  Lu1 Lu1 Lu2 3_565 . 5_564 59.999(13) ?
  Lu1 Lu1 Lu2 3_565 . 6_554 89.582(13) ?
  Lu1 Lu1 Lu3 3_565 . . 148.683(10) ?
  Lu1 Lu1 Ni1 3_565 . . 49.206(9) ?
  Lu1 Lu1 Al2 3_565 . . 148.58(3) ?
  Lu1 Lu1 Al2 3_565 . 2_555 112.63(9) ?
  Lu1 Lu1 Al2 3_565 . 6_554 113.73(9) ?
  Lu1 Lu1 Ni2 3_565 . . 148.58(3) ?
  Lu1 Lu1 Ni2 3_565 . 2_555 112.63(9) ?
  Lu1 Lu1 Ni2 3_565 . 6_554 113.73(9) ?
  Lu1 Lu1 Lu1 7_555 . 9_555 110.528(13) ?
  Lu1 Lu1 Lu1 7_555 . 11_555 108.393(14) ?
  Lu1 Lu1 Lu2 7_555 . 2_555 155.399(15) ?
  Lu1 Lu1 Lu2 7_555 . 3_665 60.568(10) ?
  Lu1 Lu1 Lu2 7_555 . 5_564 106.578(15) ?
  Lu1 Lu1 Lu2 7_555 . 6_554 58.366(11) ?
  Lu1 Lu1 Lu3 7_555 . . 58.682(8) ?
  Lu1 Lu1 Ni1 7_555 . . 124.406(10) ?
  Lu1 Lu1 Al2 7_555 . . 55.91(6) ?
  Lu1 Lu1 Al2 7_555 . 2_555 102.11(9) ?
  Lu1 Lu1 Al2 7_555 . 6_554 60.01(11) ?
  Lu1 Lu1 Ni2 7_555 . . 55.91(6) ?
  Lu1 Lu1 Ni2 7_555 . 2_555 102.11(9) ?
  Lu1 Lu1 Ni2 7_555 . 6_554 60.01(11) ?
  Lu1 Lu1 Lu1 9_555 . 11_555 108.393(11) ?
  Lu1 Lu1 Lu2 9_555 . 2_555 60.568(10) ?
  Lu1 Lu1 Lu2 9_555 . 3_665 155.400(14) ?
  Lu1 Lu1 Lu2 9_555 . 5_564 58.366(11) ?
  Lu1 Lu1 Lu2 9_555 . 6_554 106.578(13) ?
  Lu1 Lu1 Lu3 9_555 . . 58.682(9) ?
  Lu1 Lu1 Ni1 9_555 . . 124.406(14) ?
  Lu1 Lu1 Al2 9_555 . . 102.11(6) ?
  Lu1 Lu1 Al2 9_555 . 2_555 55.91(4) ?
  Lu1 Lu1 Al2 9_555 . 6_554 60.01(9) ?
  Lu1 Lu1 Ni2 9_555 . . 102.11(6) ?
  Lu1 Lu1 Ni2 9_555 . 2_555 55.91(4) ?
  Lu1 Lu1 Ni2 9_555 . 6_554 60.01(9) ?
  Lu1 Lu1 Lu2 11_555 . 2_555 59.078(12) ?
  Lu1 Lu1 Lu2 11_555 . 3_665 59.078(11) ?
  Lu1 Lu1 Lu2 11_555 . 5_564 145.027(18) ?
  Lu1 Lu1 Lu2 11_555 . 6_554 145.026(12) ?
  Lu1 Lu1 Lu3 11_555 . . 99.440(10) ?
  Lu1 Lu1 Ni1 11_555 . . 48.974(8) ?
  Lu1 Lu1 Al2 11_555 . . 58.73(3) ?
  Lu1 Lu1 Al2 11_555 . 2_555 58.73(2) ?
  Lu1 Lu1 Al2 11_555 . 6_554 152.32(6) ?
  Lu1 Lu1 Ni2 11_555 . . 58.73(3) ?
  Lu1 Lu1 Ni2 11_555 . 2_555 58.73(2) ?
  Lu1 Lu1 Ni2 11_555 . 6_554 152.32(6) ?
  Lu2 Lu1 Lu2 2_555 . 3_665 116.900(13) ?
  Lu2 Lu1 Lu2 2_555 . 5_564 88.413(15) ?
  Lu2 Lu1 Lu2 2_555 . 6_554 144.300(18) ?
  Lu2 Lu1 Lu3 2_555 . . 100.459(11) ?
  Lu2 Lu1 Ni1 2_555 . . 65.690(11) ?
  Lu2 Lu1 Al2 2_555 . . 101.72(6) ?
  Lu2 Lu1 Al2 2_555 . 2_555 53.44(9) ?
  Lu2 Lu1 Al2 2_555 . 6_554 120.06(10) ?
  Lu2 Lu1 Ni2 2_555 . . 101.72(6) ?
  Lu2 Lu1 Ni2 2_555 . 2_555 53.44(9) ?
  Lu2 Lu1 Ni2 2_555 . 6_554 120.06(10) ?
  Lu2 Lu1 Lu2 3_665 . 5_564 144.300(12) ?
  Lu2 Lu1 Lu2 3_665 . 6_554 88.413(13) ?
  Lu2 Lu1 Lu3 3_665 . . 100.459(12) ?
  Lu2 Lu1 Ni1 3_665 . . 65.690(9) ?
  Lu2 Lu1 Al2 3_665 . . 53.44(6) ?
  Lu2 Lu1 Al2 3_665 . 2_555 101.72(5) ?
  Lu2 Lu1 Al2 3_665 . 6_554 120.06(11) ?
  Lu2 Lu1 Ni2 3_665 . . 53.44(6) ?
  Lu2 Lu1 Ni2 3_665 . 2_555 101.72(5) ?
  Lu2 Lu1 Ni2 3_665 . 6_554 120.06(11) ?
  Lu2 Lu1 Lu2 5_564 . 6_554 59.039(15) ?
  Lu2 Lu1 Lu3 5_564 . . 98.890(12) ?
  Lu2 Lu1 Ni1 5_564 . . 108.476(16) ?
  Lu2 Lu1 Al2 5_564 . . 149.95(3) ?
  Lu2 Lu1 Al2 5_564 . 2_555 113.82(5) ?
  Lu2 Lu1 Al2 5_564 . 6_554 53.88(9) ?
  Lu2 Lu1 Ni2 5_564 . . 149.95(3) ?
  Lu2 Lu1 Ni2 5_564 . 2_555 113.82(5) ?
  Lu2 Lu1 Ni2 5_564 . 6_554 53.88(9) ?
  Lu2 Lu1 Lu3 6_554 . . 98.890(11) ?
  Lu2 Lu1 Ni1 6_554 . . 108.476(9) ?
  Lu2 Lu1 Al2 6_554 . . 113.82(6) ?
  Lu2 Lu1 Al2 6_554 . 2_555 149.95(6) ?
  Lu2 Lu1 Al2 6_554 . 6_554 53.88(6) ?
  Lu2 Lu1 Ni2 6_554 . . 113.82(6) ?
  Lu2 Lu1 Ni2 6_554 . 2_555 149.95(6) ?
  Lu2 Lu1 Ni2 6_554 . 6_554 53.88(6) ?
  Lu3 Lu1 Ni1 . . . 148.414(13) ?
  Lu3 Lu1 Al2 . . . 51.68(3) ?
  Lu3 Lu1 Al2 . . 2_555 51.68(7) ?
  Lu3 Lu1 Al2 . . 6_554 52.88(6) ?
  Lu3 Lu1 Ni2 . . . 51.68(3) ?
  Lu3 Lu1 Ni2 . . 2_555 51.68(7) ?
  Lu3 Lu1 Ni2 . . 6_554 52.88(6) ?
  Ni1 Lu1 Al2 . . . 101.45(2) ?
  Ni1 Lu1 Al2 . . 2_555 101.45(5) ?
  Ni1 Lu1 Al2 . . 6_554 158.71(6) ?
  Ni1 Lu1 Ni2 . . . 101.45(2) ?
  Ni1 Lu1 Ni2 . . 2_555 101.45(5) ?
  Ni1 Lu1 Ni2 . . 6_554 158.71(6) ?
  Al2 Lu1 Al2 . . 2_555 55.89(10) ?
  Al2 Lu1 Al2 . . 6_554 97.33(9) ?
  Al2 Lu1 Ni2 . . . 0.0(5) ?
  Al2 Lu1 Ni2 . . 2_555 55.89(10) ?
  Al2 Lu1 Ni2 . . 6_554 97.33(9) ?
  Al2 Lu1 Al2 2_555 . 6_554 97.33(7) ?
  Al2 Lu1 Ni2 2_555 . . 55.89(10) ?
  Al2 Lu1 Ni2 2_555 . 2_555 0.0(5) ?
  Al2 Lu1 Ni2 2_555 . 6_554 97.33(7) ?
  Al2 Lu1 Ni2 6_554 . . 97.33(9) ?
  Al2 Lu1 Ni2 6_554 . 2_555 97.33(7) ?
  Al2 Lu1 Ni2 6_554 . 6_554 0.0(5) ?
  Ni2 Lu1 Ni2 . . 2_555 55.89(10) ?
  Ni2 Lu1 Ni2 . . 6_554 97.33(9) ?
  Ni2 Lu1 Ni2 2_555 . 6_554 97.33(7) ?
  Lu1 Lu2 Lu1 2_655 . 3_555 61.524(12) ?
  Lu1 Lu2 Lu1 2_655 . 5_555 150.440(16) ?
  Lu1 Lu2 Lu1 2_655 . 6_655 110.999(17) ?
  Lu1 Lu2 Lu1 2_655 . 7_555 91.587(10) ?
  Lu1 Lu2 Lu1 2_655 . 9_655 61.067(11) ?
  Lu1 Lu2 Lu1 2_655 . 10_655 61.844(14) ?
  Lu1 Lu2 Lu1 2_655 . 12_555 92.943(16) ?
  Lu1 Lu2 Lu2 2_655 . 2_655 109.920(15) ?
  Lu1 Lu2 Lu2 2_655 . 3_665 148.450(9) ?
  Lu1 Lu2 Ni1 2_655 . 1_545 46.471(10) ?
  Lu1 Lu2 Al2 2_655 . . 124.16(3) ?
  Lu1 Lu2 Al2 2_655 . 2_655 62.70(7) ?
  Lu1 Lu2 Ni2 2_655 . . 124.16(3) ?
  Lu1 Lu2 Ni2 2_655 . 2_655 62.70(7) ?
  Lu1 Lu2 Lu1 3_555 . 5_555 110.999(12) ?
  Lu1 Lu2 Lu1 3_555 . 6_655 150.440(15) ?
  Lu1 Lu2 Lu1 3_555 . 7_555 61.066(7) ?
  Lu1 Lu2 Lu1 3_555 . 9_655 91.587(9) ?
  Lu1 Lu2 Lu1 3_555 . 10_655 92.943(15) ?
  Lu1 Lu2 Lu1 3_555 . 12_555 61.844(10) ?
  Lu1 Lu2 Lu2 3_555 . 2_655 148.450(8) ?
  Lu1 Lu2 Lu2 3_555 . 3_665 109.920(16) ?
  Lu1 Lu2 Ni1 3_555 . 1_545 46.471(8) ?
  Lu1 Lu2 Al2 3_555 . . 62.70(3) ?
  Lu1 Lu2 Al2 3_555 . 2_655 124.16(7) ?
  Lu1 Lu2 Ni2 3_555 . . 62.70(3) ?
  Lu1 Lu2 Ni2 3_555 . 2_655 124.16(7) ?
  Lu1 Lu2 Lu1 5_555 . 6_655 60.001(11) ?
  Lu1 Lu2 Lu1 5_555 . 7_555 110.053(19) ?
  Lu1 Lu2 Lu1 5_555 . 9_655 147.448(19) ?
  Lu1 Lu2 Lu1 5_555 . 10_655 91.587(11) ?
  Lu1 Lu2 Lu1 5_555 . 12_555 61.067(10) ?
  Lu1 Lu2 Lu2 5_555 . 2_655 90.418(14) ?
  Lu1 Lu2 Lu2 5_555 . 3_665 60.481(12) ?
  Lu1 Lu2 Ni1 5_555 . 1_545 106.276(8) ?
  Lu1 Lu2 Al2 5_555 . . 58.699(15) ?
  Lu1 Lu2 Al2 5_555 . 2_655 118.53(3) ?
  Lu1 Lu2 Ni2 5_555 . . 58.699(15) ?
  Lu1 Lu2 Ni2 5_555 . 2_655 118.53(3) ?
  Lu1 Lu2 Lu1 6_655 . 7_555 147.448(17) ?
  Lu1 Lu2 Lu1 6_655 . 9_655 110.053(11) ?
  Lu1 Lu2 Lu1 6_655 . 10_655 61.066(9) ?
  Lu1 Lu2 Lu1 6_655 . 12_555 91.587(9) ?
  Lu1 Lu2 Lu2 6_655 . 2_655 60.481(7) ?
  Lu1 Lu2 Lu2 6_655 . 3_665 90.418(13) ?
  Lu1 Lu2 Ni1 6_655 . 1_545 106.276(13) ?
  Lu1 Lu2 Al2 6_655 . . 118.535(18) ?
  Lu1 Lu2 Al2 6_655 . 2_655 58.70(3) ?
  Lu1 Lu2 Ni2 6_655 . . 118.535(18) ?
  Lu1 Lu2 Ni2 6_655 . 2_655 58.70(3) ?
  Lu1 Lu2 Lu1 7_555 . 9_655 60.001(9) ?
  Lu1 Lu2 Lu1 7_555 . 10_655 150.440(15) ?
  Lu1 Lu2 Lu1 7_555 . 12_555 110.999(11) ?
  Lu1 Lu2 Lu2 7_555 . 2_655 90.418(13) ?
  Lu1 Lu2 Lu2 7_555 . 3_665 60.481(11) ?
  Lu1 Lu2 Ni1 7_555 . 1_545 106.276(7) ?
  Lu1 Lu2 Al2 7_555 . . 58.699(14) ?
  Lu1 Lu2 Al2 7_555 . 2_655 118.53(3) ?
  Lu1 Lu2 Ni2 7_555 . . 58.699(14) ?
  Lu1 Lu2 Ni2 7_555 . 2_655 118.53(3) ?
  Lu1 Lu2 Lu1 9_655 . 10_655 110.999(17) ?
  Lu1 Lu2 Lu1 9_655 . 12_555 150.440(16) ?
  Lu1 Lu2 Lu2 9_655 . 2_655 60.481(8) ?
  Lu1 Lu2 Lu2 9_655 . 3_665 90.418(14) ?
  Lu1 Lu2 Ni1 9_655 . 1_545 106.276(14) ?
  Lu1 Lu2 Al2 9_655 . . 118.535(18) ?
  Lu1 Lu2 Al2 9_655 . 2_655 58.70(3) ?
  Lu1 Lu2 Ni2 9_655 . . 118.535(18) ?
  Lu1 Lu2 Ni2 9_655 . 2_655 58.70(3) ?
  Lu1 Lu2 Lu1 10_655 . 12_555 61.524(12) ?
  Lu1 Lu2 Lu2 10_655 . 2_655 109.920(15) ?
  Lu1 Lu2 Lu2 10_655 . 3_665 148.450(8) ?
  Lu1 Lu2 Ni1 10_655 . 1_545 46.471(9) ?
  Lu1 Lu2 Al2 10_655 . . 124.16(3) ?
  Lu1 Lu2 Al2 10_655 . 2_655 62.70(7) ?
  Lu1 Lu2 Ni2 10_655 . . 124.16(3) ?
  Lu1 Lu2 Ni2 10_655 . 2_655 62.70(7) ?
  Lu1 Lu2 Lu2 12_555 . 2_655 148.450(9) ?
  Lu1 Lu2 Lu2 12_555 . 3_665 109.920(17) ?
  Lu1 Lu2 Ni1 12_555 . 1_545 46.471(9) ?
  Lu1 Lu2 Al2 12_555 . . 62.70(3) ?
  Lu1 Lu2 Al2 12_555 . 2_655 124.16(7) ?
  Lu1 Lu2 Ni2 12_555 . . 62.70(3) ?
  Lu1 Lu2 Ni2 12_555 . 2_655 124.16(7) ?
  Lu2 Lu2 Lu2 2_655 . 3_665 60.000(19) ?
  Lu2 Lu2 Ni1 2_655 . 1_545 150.00(2) ?
  Lu2 Lu2 Al2 2_655 . . 115.72(4) ?
  Lu2 Lu2 Al2 2_655 . 2_655 55.72(9) ?
  Lu2 Lu2 Ni2 2_655 . . 115.72(4) ?
  Lu2 Lu2 Ni2 2_655 . 2_655 55.72(9) ?
  Lu2 Lu2 Ni1 3_665 . 1_545 150.000(15) ?
  Lu2 Lu2 Al2 3_665 . . 55.72(4) ?
  Lu2 Lu2 Al2 3_665 . 2_655 115.72(9) ?
  Lu2 Lu2 Ni2 3_665 . . 55.72(4) ?
  Lu2 Lu2 Ni2 3_665 . 2_655 115.72(9) ?
  Ni1 Lu2 Al2 1_545 . . 94.28(4) ?
  Ni1 Lu2 Al2 1_545 . 2_655 94.28(9) ?
  Ni1 Lu2 Ni2 1_545 . . 94.28(4) ?
  Ni1 Lu2 Ni2 1_545 . 2_655 94.28(9) ?
  Al2 Lu2 Al2 . . 2_655 171.44(10) ?
  Al2 Lu2 Ni2 . . . 0.0(5) ?
  Al2 Lu2 Ni2 . . 2_655 171.44(10) ?
  Al2 Lu2 Ni2 2_655 . . 171.44(10) ?
  Al2 Lu2 Ni2 2_655 . 2_655 0.0(5) ?
  Ni2 Lu2 Ni2 . . 2_655 171.44(10) ?
  Lu1 Lu3 Lu1 . . 2_555 117.365(10) ?
  Lu1 Lu3 Lu1 . . 3_555 117.365(7) ?
  Lu1 Lu3 Lu1 . . 7_555 62.635(7) ?
  Lu1 Lu3 Lu1 . . 8_555 180.0(5) ?
  Lu1 Lu3 Lu1 . . 9_555 62.635(8) ?
  Lu1 Lu3 Al2 . . . 64.22(5) ?
  Lu1 Lu3 Al2 . . 2_555 64.22(7) ?
  Lu1 Lu3 Al2 . . 3_555 118.95(6) ?
  Lu1 Lu3 Al2 . . 4_554 115.78(5) ?
  Lu1 Lu3 Al2 . . 5_554 115.78(7) ?
  Lu1 Lu3 Al2 . . 6_554 61.05(6) ?
  Lu1 Lu3 Ni2 . . . 64.22(5) ?
  Lu1 Lu3 Ni2 . . 2_555 64.22(7) ?
  Lu1 Lu3 Ni2 . . 3_555 118.95(6) ?
  Lu1 Lu3 Ni2 . . 4_554 115.78(5) ?
  Lu1 Lu3 Ni2 . . 5_554 115.78(7) ?
  Lu1 Lu3 Ni2 . . 6_554 61.05(6) ?
  Lu1 Lu3 Lu1 2_555 . 3_555 117.365(10) ?
  Lu1 Lu3 Lu1 2_555 . 7_555 180.0(5) ?
  Lu1 Lu3 Lu1 2_555 . 8_555 62.635(12) ?
  Lu1 Lu3 Lu1 2_555 . 9_555 62.635(10) ?
  Lu1 Lu3 Al2 2_555 . . 118.95(6) ?
  Lu1 Lu3 Al2 2_555 . 2_555 64.22(4) ?
  Lu1 Lu3 Al2 2_555 . 3_555 64.22(10) ?
  Lu1 Lu3 Al2 2_555 . 4_554 61.05(6) ?
  Lu1 Lu3 Al2 2_555 . 5_554 115.78(4) ?
  Lu1 Lu3 Al2 2_555 . 6_554 115.78(10) ?
  Lu1 Lu3 Ni2 2_555 . . 118.95(6) ?
  Lu1 Lu3 Ni2 2_555 . 2_555 64.22(4) ?
  Lu1 Lu3 Ni2 2_555 . 3_555 64.22(10) ?
  Lu1 Lu3 Ni2 2_555 . 4_554 61.05(6) ?
  Lu1 Lu3 Ni2 2_555 . 5_554 115.78(4) ?
  Lu1 Lu3 Ni2 2_555 . 6_554 115.78(10) ?
  Lu1 Lu3 Lu1 3_555 . 7_555 62.635(8) ?
  Lu1 Lu3 Lu1 3_555 . 8_555 62.635(10) ?
  Lu1 Lu3 Lu1 3_555 . 9_555 180.0(5) ?
  Lu1 Lu3 Al2 3_555 . . 64.22(8) ?
  Lu1 Lu3 Al2 3_555 . 2_555 118.95(8) ?
  Lu1 Lu3 Al2 3_555 . 3_555 64.22(11) ?
  Lu1 Lu3 Al2 3_555 . 4_554 115.78(8) ?
  Lu1 Lu3 Al2 3_555 . 5_554 61.05(8) ?
  Lu1 Lu3 Al2 3_555 . 6_554 115.78(11) ?
  Lu1 Lu3 Ni2 3_555 . . 64.22(8) ?
  Lu1 Lu3 Ni2 3_555 . 2_555 118.95(8) ?
  Lu1 Lu3 Ni2 3_555 . 3_555 64.22(11) ?
  Lu1 Lu3 Ni2 3_555 . 4_554 115.78(8) ?
  Lu1 Lu3 Ni2 3_555 . 5_554 61.05(8) ?
  Lu1 Lu3 Ni2 3_555 . 6_554 115.78(11) ?
  Lu1 Lu3 Lu1 7_555 . 8_555 117.365(10) ?
  Lu1 Lu3 Lu1 7_555 . 9_555 117.365(7) ?
  Lu1 Lu3 Al2 7_555 . . 61.05(6) ?
  Lu1 Lu3 Al2 7_555 . 2_555 115.78(4) ?
  Lu1 Lu3 Al2 7_555 . 3_555 115.78(10) ?
  Lu1 Lu3 Al2 7_555 . 4_554 118.95(6) ?
  Lu1 Lu3 Al2 7_555 . 5_554 64.22(4) ?
  Lu1 Lu3 Al2 7_555 . 6_554 64.22(10) ?
  Lu1 Lu3 Ni2 7_555 . . 61.05(6) ?
  Lu1 Lu3 Ni2 7_555 . 2_555 115.78(4) ?
  Lu1 Lu3 Ni2 7_555 . 3_555 115.78(10) ?
  Lu1 Lu3 Ni2 7_555 . 4_554 118.95(6) ?
  Lu1 Lu3 Ni2 7_555 . 5_554 64.22(4) ?
  Lu1 Lu3 Ni2 7_555 . 6_554 64.22(10) ?
  Lu1 Lu3 Lu1 8_555 . 9_555 117.365(10) ?
  Lu1 Lu3 Al2 8_555 . . 115.78(5) ?
  Lu1 Lu3 Al2 8_555 . 2_555 115.78(7) ?
  Lu1 Lu3 Al2 8_555 . 3_555 61.05(6) ?
  Lu1 Lu3 Al2 8_555 . 4_554 64.22(5) ?
  Lu1 Lu3 Al2 8_555 . 5_554 64.22(7) ?
  Lu1 Lu3 Al2 8_555 . 6_554 118.95(6) ?
  Lu1 Lu3 Ni2 8_555 . . 115.78(5) ?
  Lu1 Lu3 Ni2 8_555 . 2_555 115.78(7) ?
  Lu1 Lu3 Ni2 8_555 . 3_555 61.05(6) ?
  Lu1 Lu3 Ni2 8_555 . 4_554 64.22(5) ?
  Lu1 Lu3 Ni2 8_555 . 5_554 64.22(7) ?
  Lu1 Lu3 Ni2 8_555 . 6_554 118.95(6) ?
  Lu1 Lu3 Al2 9_555 . . 115.78(8) ?
  Lu1 Lu3 Al2 9_555 . 2_555 61.05(8) ?
  Lu1 Lu3 Al2 9_555 . 3_555 115.78(11) ?
  Lu1 Lu3 Al2 9_555 . 4_554 64.22(8) ?
  Lu1 Lu3 Al2 9_555 . 5_554 118.95(8) ?
  Lu1 Lu3 Al2 9_555 . 6_554 64.22(11) ?
  Lu1 Lu3 Ni2 9_555 . . 115.78(8) ?
  Lu1 Lu3 Ni2 9_555 . 2_555 61.05(8) ?
  Lu1 Lu3 Ni2 9_555 . 3_555 115.78(11) ?
  Lu1 Lu3 Ni2 9_555 . 4_554 64.22(8) ?
  Lu1 Lu3 Ni2 9_555 . 5_554 118.95(8) ?
  Lu1 Lu3 Ni2 9_555 . 6_554 64.22(11) ?
  Al2 Lu3 Al2 . . 2_555 65.07(9) ?
  Al2 Lu3 Al2 . . 3_555 65.07(7) ?
  Al2 Lu3 Al2 . . 4_554 180.0(5) ?
  Al2 Lu3 Al2 . . 5_554 114.93(9) ?
  Al2 Lu3 Al2 . . 6_554 114.93(7) ?
  Al2 Lu3 Ni2 . . . 0.0(5) ?
  Al2 Lu3 Ni2 . . 2_555 65.07(9) ?
  Al2 Lu3 Ni2 . . 3_555 65.07(7) ?
  Al2 Lu3 Ni2 . . 4_554 180.0(5) ?
  Al2 Lu3 Ni2 . . 5_554 114.93(9) ?
  Al2 Lu3 Ni2 . . 6_554 114.93(7) ?
  Al2 Lu3 Al2 2_555 . 3_555 65.07(13) ?
  Al2 Lu3 Al2 2_555 . 4_554 114.93(9) ?
  Al2 Lu3 Al2 2_555 . 5_554 180.0(5) ?
  Al2 Lu3 Al2 2_555 . 6_554 114.93(13) ?
  Al2 Lu3 Ni2 2_555 . . 65.07(9) ?
  Al2 Lu3 Ni2 2_555 . 2_555 0.0(5) ?
  Al2 Lu3 Ni2 2_555 . 3_555 65.07(13) ?
  Al2 Lu3 Ni2 2_555 . 4_554 114.93(9) ?
  Al2 Lu3 Ni2 2_555 . 5_554 180.0(5) ?
  Al2 Lu3 Ni2 2_555 . 6_554 114.93(13) ?
  Al2 Lu3 Al2 3_555 . 4_554 114.93(7) ?
  Al2 Lu3 Al2 3_555 . 5_554 114.93(13) ?
  Al2 Lu3 Al2 3_555 . 6_554 180.0(5) ?
  Al2 Lu3 Ni2 3_555 . . 65.07(7) ?
  Al2 Lu3 Ni2 3_555 . 2_555 65.07(13) ?
  Al2 Lu3 Ni2 3_555 . 3_555 0.0(5) ?
  Al2 Lu3 Ni2 3_555 . 4_554 114.93(7) ?
  Al2 Lu3 Ni2 3_555 . 5_554 114.93(13) ?
  Al2 Lu3 Ni2 3_555 . 6_554 180.0(5) ?
  Al2 Lu3 Al2 4_554 . 5_554 65.07(9) ?
  Al2 Lu3 Al2 4_554 . 6_554 65.07(7) ?
  Al2 Lu3 Ni2 4_554 . . 180.0(5) ?
  Al2 Lu3 Ni2 4_554 . 2_555 114.93(9) ?
  Al2 Lu3 Ni2 4_554 . 3_555 114.93(7) ?
  Al2 Lu3 Ni2 4_554 . 4_554 0.0(5) ?
  Al2 Lu3 Ni2 4_554 . 5_554 65.07(9) ?
  Al2 Lu3 Ni2 4_554 . 6_554 65.07(7) ?
  Al2 Lu3 Al2 5_554 . 6_554 65.07(13) ?
  Al2 Lu3 Ni2 5_554 . . 114.93(9) ?
  Al2 Lu3 Ni2 5_554 . 2_555 180.0(5) ?
  Al2 Lu3 Ni2 5_554 . 3_555 114.93(13) ?
  Al2 Lu3 Ni2 5_554 . 4_554 65.07(9) ?
  Al2 Lu3 Ni2 5_554 . 5_554 0.0(5) ?
  Al2 Lu3 Ni2 5_554 . 6_554 65.07(13) ?
  Al2 Lu3 Ni2 6_554 . . 114.93(7) ?
  Al2 Lu3 Ni2 6_554 . 2_555 114.93(13) ?
  Al2 Lu3 Ni2 6_554 . 3_555 180.0(5) ?
  Al2 Lu3 Ni2 6_554 . 4_554 65.07(7) ?
  Al2 Lu3 Ni2 6_554 . 5_554 65.07(13) ?
  Al2 Lu3 Ni2 6_554 . 6_554 0.0(5) ?
  Ni2 Lu3 Ni2 . . 2_555 65.07(9) ?
  Ni2 Lu3 Ni2 . . 3_555 65.07(7) ?
  Ni2 Lu3 Ni2 . . 4_554 180.0(5) ?
  Ni2 Lu3 Ni2 . . 5_554 114.93(9) ?
  Ni2 Lu3 Ni2 . . 6_554 114.93(7) ?
  Ni2 Lu3 Ni2 2_555 . 3_555 65.07(13) ?
  Ni2 Lu3 Ni2 2_555 . 4_554 114.93(9) ?
  Ni2 Lu3 Ni2 2_555 . 5_554 180.0(5) ?
  Ni2 Lu3 Ni2 2_555 . 6_554 114.93(13) ?
  Ni2 Lu3 Ni2 3_555 . 4_554 114.93(7) ?
  Ni2 Lu3 Ni2 3_555 . 5_554 114.93(13) ?
  Ni2 Lu3 Ni2 3_555 . 6_554 180.0(5) ?
  Ni2 Lu3 Ni2 4_554 . 5_554 65.07(9) ?
  Ni2 Lu3 Ni2 4_554 . 6_554 65.07(7) ?
  Ni2 Lu3 Ni2 5_554 . 6_554 65.07(13) ?
  Lu1 Ni1 Lu1 . . 2_665 81.588(10) ?
  Lu1 Ni1 Lu1 . . 3_565 81.588(10) ?
  Lu1 Ni1 Lu1 . . 10_665 135.678(10) ?
  Lu1 Ni1 Lu1 . . 11_555 82.051(11) ?
  Lu1 Ni1 Lu1 . . 12_565 135.678(7) ?
  Lu1 Ni1 Lu2 . . 1_565 138.974(8) ?
  Lu1 Ni1 Lu2 . . 2_555 67.839(11) ?
  Lu1 Ni1 Lu2 . . 3_665 67.839(9) ?
  Lu1 Ni1 Lu1 2_665 . 3_565 81.588(13) ?
  Lu1 Ni1 Lu1 2_665 . 10_665 82.051(11) ?
  Lu1 Ni1 Lu1 2_665 . 11_555 135.678(15) ?
  Lu1 Ni1 Lu1 2_665 . 12_565 135.679(12) ?
  Lu1 Ni1 Lu2 2_665 . 1_565 67.839(11) ?
  Lu1 Ni1 Lu2 2_665 . 2_555 138.974(8) ?
  Lu1 Ni1 Lu2 2_665 . 3_665 67.839(12) ?
  Lu1 Ni1 Lu1 3_565 . 10_665 135.678(7) ?
  Lu1 Ni1 Lu1 3_565 . 11_555 135.679(12) ?
  Lu1 Ni1 Lu1 3_565 . 12_565 82.051(12) ?
  Lu1 Ni1 Lu2 3_565 . 1_565 67.839(7) ?
  Lu1 Ni1 Lu2 3_565 . 2_555 67.839(11) ?
  Lu1 Ni1 Lu2 3_565 . 3_665 138.974(8) ?
  Lu1 Ni1 Lu1 10_665 . 11_555 81.588(10) ?
  Lu1 Ni1 Lu1 10_665 . 12_565 81.588(10) ?
  Lu1 Ni1 Lu2 10_665 . 1_565 67.839(8) ?
  Lu1 Ni1 Lu2 10_665 . 2_555 138.974(8) ?
  Lu1 Ni1 Lu2 10_665 . 3_665 67.839(9) ?
  Lu1 Ni1 Lu1 11_555 . 12_565 81.588(13) ?
  Lu1 Ni1 Lu2 11_555 . 1_565 138.974(8) ?
  Lu1 Ni1 Lu2 11_555 . 2_555 67.839(13) ?
  Lu1 Ni1 Lu2 11_555 . 3_665 67.839(12) ?
  Lu1 Ni1 Lu2 12_565 . 1_565 67.839(9) ?
  Lu1 Ni1 Lu2 12_565 . 2_555 67.839(10) ?
  Lu1 Ni1 Lu2 12_565 . 3_665 138.974(8) ?
  Lu2 Ni1 Lu2 1_565 . 2_555 120.000(15) ?
  Lu2 Ni1 Lu2 1_565 . 3_665 120.000(10) ?
  Lu2 Ni1 Lu2 2_555 . 3_665 120.000(14) ?
  Lu1 Al2 Lu1 . . 3_555 117.153(14) ?
  Lu1 Al2 Lu1 . . 5_555 118.83(6) ?
  Lu1 Al2 Lu1 . . 7_555 64.08(3) ?
  Lu1 Al2 Lu1 . . 11_555 62.54(6) ?
  Lu1 Al2 Lu1 . . 12_555 174.45(14) ?
  Lu1 Al2 Lu2 . . . 121.38(8) ?
  Lu1 Al2 Lu2 . . 3_665 63.86(4) ?
  Lu1 Al2 Lu3 . . . 64.09(6) ?
  Lu1 Al2 Lu3 . . 4_555 112.14(14) ?
  Lu1 Al2 Al2 . . 2_555 62.06(10) ?
  Lu1 Al2 Al2 . . 3_555 112.63(15) ?
  Lu1 Al2 Ni2 . . 2_555 62.06(10) ?
  Lu1 Al2 Ni2 . . 3_555 112.63(15) ?
  Lu1 Al2 Lu1 3_555 . 5_555 118.83(12) ?
  Lu1 Al2 Lu1 3_555 . 7_555 64.08(5) ?
  Lu1 Al2 Lu1 3_555 . 11_555 174.45(14) ?
  Lu1 Al2 Lu1 3_555 . 12_555 62.54(6) ?
  Lu1 Al2 Lu2 3_555 . . 63.86(8) ?
  Lu1 Al2 Lu2 3_555 . 3_665 121.38(12) ?
  Lu1 Al2 Lu3 3_555 . . 64.09(3) ?
  Lu1 Al2 Lu3 3_555 . 4_555 112.14(6) ?
  Lu1 Al2 Al2 3_555 . 2_555 112.63(10) ?
  Lu1 Al2 Al2 3_555 . 3_555 62.06(9) ?
  Lu1 Al2 Ni2 3_555 . 2_555 112.63(10) ?
  Lu1 Al2 Ni2 3_555 . 3_555 62.06(9) ?
  Lu1 Al2 Lu1 5_555 . 7_555 124.63(13) ?
  Lu1 Al2 Lu1 5_555 . 11_555 64.08(3) ?
  Lu1 Al2 Lu1 5_555 . 12_555 64.08(5) ?
  Lu1 Al2 Lu2 5_555 . . 67.43(8) ?
  Lu1 Al2 Lu2 5_555 . 3_665 67.43(5) ?
  Lu1 Al2 Lu3 5_555 . . 169.29(12) ?
  Lu1 Al2 Lu3 5_555 . 4_555 66.074(7) ?
  Lu1 Al2 Al2 5_555 . 2_555 113.73(8) ?
  Lu1 Al2 Al2 5_555 . 3_555 113.73(4) ?
  Lu1 Al2 Ni2 5_555 . 2_555 113.73(8) ?
  Lu1 Al2 Ni2 5_555 . 3_555 113.73(4) ?
  Lu1 Al2 Lu1 7_555 . 11_555 118.83(6) ?
  Lu1 Al2 Lu1 7_555 . 12_555 118.83(12) ?
  Lu1 Al2 Lu2 7_555 . . 67.43(8) ?
  Lu1 Al2 Lu2 7_555 . 3_665 67.43(5) ?
  Lu1 Al2 Lu3 7_555 . . 66.074(7) ?
  Lu1 Al2 Lu3 7_555 . 4_555 169.29(12) ?
  Lu1 Al2 Al2 7_555 . 2_555 113.73(8) ?
  Lu1 Al2 Al2 7_555 . 3_555 113.73(4) ?
  Lu1 Al2 Ni2 7_555 . 2_555 113.73(8) ?
  Lu1 Al2 Ni2 7_555 . 3_555 113.73(4) ?
  Lu1 Al2 Lu1 11_555 . 12_555 117.153(14) ?
  Lu1 Al2 Lu2 11_555 . . 121.38(8) ?
  Lu1 Al2 Lu2 11_555 . 3_665 63.86(4) ?
  Lu1 Al2 Lu3 11_555 . . 112.14(14) ?
  Lu1 Al2 Lu3 11_555 . 4_555 64.09(6) ?
  Lu1 Al2 Al2 11_555 . 2_555 62.06(10) ?
  Lu1 Al2 Al2 11_555 . 3_555 112.63(15) ?
  Lu1 Al2 Ni2 11_555 . 2_555 62.06(10) ?
  Lu1 Al2 Ni2 11_555 . 3_555 112.63(15) ?
  Lu1 Al2 Lu2 12_555 . . 63.86(8) ?
  Lu1 Al2 Lu2 12_555 . 3_665 121.38(12) ?
  Lu1 Al2 Lu3 12_555 . . 112.14(6) ?
  Lu1 Al2 Lu3 12_555 . 4_555 64.09(3) ?
  Lu1 Al2 Al2 12_555 . 2_555 112.63(10) ?
  Lu1 Al2 Al2 12_555 . 3_555 62.06(9) ?
  Lu1 Al2 Ni2 12_555 . 2_555 112.63(10) ?
  Lu1 Al2 Ni2 12_555 . 3_555 62.06(9) ?
  Lu2 Al2 Lu2 . . 3_665 68.56(9) ?
  Lu2 Al2 Lu3 . . . 120.87(9) ?
  Lu2 Al2 Lu3 . . 4_555 120.87(9) ?
  Lu2 Al2 Al2 . . 2_555 175.72(11) ?
  Lu2 Al2 Al2 . . 3_555 115.72(15) ?
  Lu2 Al2 Ni2 . . 2_555 175.72(11) ?
  Lu2 Al2 Ni2 . . 3_555 115.72(15) ?
  Lu2 Al2 Lu3 3_665 . . 120.87(5) ?
  Lu2 Al2 Lu3 3_665 . 4_555 120.87(5) ?
  Lu2 Al2 Al2 3_665 . 2_555 115.72(13) ?
  Lu2 Al2 Al2 3_665 . 3_555 175.7(2) ?
  Lu2 Al2 Ni2 3_665 . 2_555 115.72(13) ?
  Lu2 Al2 Ni2 3_665 . 3_555 175.7(2) ?
  Lu3 Al2 Lu3 . . 4_555 103.22(12) ?
  Lu3 Al2 Al2 . . 2_555 57.47(8) ?
  Lu3 Al2 Al2 . . 3_555 57.47(7) ?
  Lu3 Al2 Ni2 . . 2_555 57.47(8) ?
  Lu3 Al2 Ni2 . . 3_555 57.47(7) ?
  Lu3 Al2 Al2 4_555 . 2_555 57.47(8) ?
  Lu3 Al2 Al2 4_555 . 3_555 57.47(7) ?
  Lu3 Al2 Ni2 4_555 . 2_555 57.47(8) ?
  Lu3 Al2 Ni2 4_555 . 3_555 57.47(7) ?
  Al2 Al2 Al2 2_555 . 3_555 60.00(15) ?
  Al2 Al2 Ni2 2_555 . 2_555 0.0(5) ?
  Al2 Al2 Ni2 2_555 . 3_555 60.00(15) ?
  Al2 Al2 Ni2 3_555 . 2_555 60.00(15) ?
  Al2 Al2 Ni2 3_555 . 3_555 0.0(5) ?
  Ni2 Al2 Ni2 2_555 . 3_555 60.00(15) ?
  Lu1 Ni2 Lu1 . . 3_555 117.153(14) ?
  Lu1 Ni2 Lu1 . . 5_555 118.83(6) ?
  Lu1 Ni2 Lu1 . . 7_555 64.08(3) ?
  Lu1 Ni2 Lu1 . . 11_555 62.54(6) ?
  Lu1 Ni2 Lu1 . . 12_555 174.45(14) ?
  Lu1 Ni2 Lu2 . . . 121.38(8) ?
  Lu1 Ni2 Lu2 . . 3_665 63.86(4) ?
  Lu1 Ni2 Lu3 . . . 64.09(6) ?
  Lu1 Ni2 Lu3 . . 4_555 112.14(14) ?
  Lu1 Ni2 Al2 . . 2_555 62.06(10) ?
  Lu1 Ni2 Al2 . . 3_555 112.63(15) ?
  Lu1 Ni2 Ni2 . . 2_555 62.06(10) ?
  Lu1 Ni2 Ni2 . . 3_555 112.63(15) ?
  Lu1 Ni2 Lu1 3_555 . 5_555 118.83(12) ?
  Lu1 Ni2 Lu1 3_555 . 7_555 64.08(5) ?
  Lu1 Ni2 Lu1 3_555 . 11_555 174.45(14) ?
  Lu1 Ni2 Lu1 3_555 . 12_555 62.54(6) ?
  Lu1 Ni2 Lu2 3_555 . . 63.86(8) ?
  Lu1 Ni2 Lu2 3_555 . 3_665 121.38(12) ?
  Lu1 Ni2 Lu3 3_555 . . 64.09(3) ?
  Lu1 Ni2 Lu3 3_555 . 4_555 112.14(6) ?
  Lu1 Ni2 Al2 3_555 . 2_555 112.63(10) ?
  Lu1 Ni2 Al2 3_555 . 3_555 62.06(9) ?
  Lu1 Ni2 Ni2 3_555 . 2_555 112.63(10) ?
  Lu1 Ni2 Ni2 3_555 . 3_555 62.06(9) ?
  Lu1 Ni2 Lu1 5_555 . 7_555 124.63(13) ?
  Lu1 Ni2 Lu1 5_555 . 11_555 64.08(3) ?
  Lu1 Ni2 Lu1 5_555 . 12_555 64.08(5) ?
  Lu1 Ni2 Lu2 5_555 . . 67.43(8) ?
  Lu1 Ni2 Lu2 5_555 . 3_665 67.43(5) ?
  Lu1 Ni2 Lu3 5_555 . . 169.29(12) ?
  Lu1 Ni2 Lu3 5_555 . 4_555 66.074(7) ?
  Lu1 Ni2 Al2 5_555 . 2_555 113.73(8) ?
  Lu1 Ni2 Al2 5_555 . 3_555 113.73(4) ?
  Lu1 Ni2 Ni2 5_555 . 2_555 113.73(8) ?
  Lu1 Ni2 Ni2 5_555 . 3_555 113.73(4) ?
  Lu1 Ni2 Lu1 7_555 . 11_555 118.83(6) ?
  Lu1 Ni2 Lu1 7_555 . 12_555 118.83(12) ?
  Lu1 Ni2 Lu2 7_555 . . 67.43(8) ?
  Lu1 Ni2 Lu2 7_555 . 3_665 67.43(5) ?
  Lu1 Ni2 Lu3 7_555 . . 66.074(7) ?
  Lu1 Ni2 Lu3 7_555 . 4_555 169.29(12) ?
  Lu1 Ni2 Al2 7_555 . 2_555 113.73(8) ?
  Lu1 Ni2 Al2 7_555 . 3_555 113.73(4) ?
  Lu1 Ni2 Ni2 7_555 . 2_555 113.73(8) ?
  Lu1 Ni2 Ni2 7_555 . 3_555 113.73(4) ?
  Lu1 Ni2 Lu1 11_555 . 12_555 117.153(14) ?
  Lu1 Ni2 Lu2 11_555 . . 121.38(8) ?
  Lu1 Ni2 Lu2 11_555 . 3_665 63.86(4) ?
  Lu1 Ni2 Lu3 11_555 . . 112.14(14) ?
  Lu1 Ni2 Lu3 11_555 . 4_555 64.09(6) ?
  Lu1 Ni2 Al2 11_555 . 2_555 62.06(10) ?
  Lu1 Ni2 Al2 11_555 . 3_555 112.63(15) ?
  Lu1 Ni2 Ni2 11_555 . 2_555 62.06(10) ?
  Lu1 Ni2 Ni2 11_555 . 3_555 112.63(15) ?
  Lu1 Ni2 Lu2 12_555 . . 63.86(8) ?
  Lu1 Ni2 Lu2 12_555 . 3_665 121.38(12) ?
  Lu1 Ni2 Lu3 12_555 . . 112.14(6) ?
  Lu1 Ni2 Lu3 12_555 . 4_555 64.09(3) ?
  Lu1 Ni2 Al2 12_555 . 2_555 112.63(10) ?
  Lu1 Ni2 Al2 12_555 . 3_555 62.06(9) ?
  Lu1 Ni2 Ni2 12_555 . 2_555 112.63(10) ?
  Lu1 Ni2 Ni2 12_555 . 3_555 62.06(9) ?
  Lu2 Ni2 Lu2 . . 3_665 68.56(9) ?
  Lu2 Ni2 Lu3 . . . 120.87(9) ?
  Lu2 Ni2 Lu3 . . 4_555 120.87(9) ?
  Lu2 Ni2 Al2 . . 2_555 175.72(11) ?
  Lu2 Ni2 Al2 . . 3_555 115.72(15) ?
  Lu2 Ni2 Ni2 . . 2_555 175.72(11) ?
  Lu2 Ni2 Ni2 . . 3_555 115.72(15) ?
  Lu2 Ni2 Lu3 3_665 . . 120.87(5) ?
  Lu2 Ni2 Lu3 3_665 . 4_555 120.87(5) ?
  Lu2 Ni2 Al2 3_665 . 2_555 115.72(13) ?
  Lu2 Ni2 Al2 3_665 . 3_555 175.7(2) ?
  Lu2 Ni2 Ni2 3_665 . 2_555 115.72(13) ?
  Lu2 Ni2 Ni2 3_665 . 3_555 175.7(2) ?
  Lu3 Ni2 Lu3 . . 4_555 103.22(12) ?
  Lu3 Ni2 Al2 . . 2_555 57.47(8) ?
  Lu3 Ni2 Al2 . . 3_555 57.47(7) ?
  Lu3 Ni2 Ni2 . . 2_555 57.47(8) ?
  Lu3 Ni2 Ni2 . . 3_555 57.47(7) ?
  Lu3 Ni2 Al2 4_555 . 2_555 57.47(8) ?
  Lu3 Ni2 Al2 4_555 . 3_555 57.47(7) ?
  Lu3 Ni2 Ni2 4_555 . 2_555 57.47(8) ?
  Lu3 Ni2 Ni2 4_555 . 3_555 57.47(7) ?
  Al2 Ni2 Al2 2_555 . 3_555 60.00(15) ?
  Al2 Ni2 Ni2 2_555 . 2_555 0.0(5) ?
  Al2 Ni2 Ni2 2_555 . 3_555 60.00(15) ?
  Al2 Ni2 Ni2 3_555 . 2_555 60.00(15) ?
  Al2 Ni2 Ni2 3_555 . 3_555 0.0(5) ?
  Ni2 Ni2 Ni2 2_555 . 3_555 60.00(15) ?

loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion
 _geom_torsion_publ_flag
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
 ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



