
#=======================================================================
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 Transactions'
_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
      'Frank Stegemann, BSc.'
;      Institut für Anorganische und Analytische 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                    'Al10.15 Au2.85 La16'
_chemical_formula_weight                 3057.7
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

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

# 6. CRYSTAL DATA

_symmetry_cell_setting                   hexagonal
_symmetry_space_group_name_H-M           'P -6 2 m'
_symmetry_space_group_name_Hall          'P -6;-2'
_symmetry_Int_Tables_number              189

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
 5   -y,x-y,-z
 6   -x+y,-x,-z
 7   y,x,-z
 8   x-y,-y,-z
 9   -x,-x+y,-z
 10  y,x,z
 11  x-y,-y,z
 12  -x,-x+y,z

_cell_length_a                           9.0909(3)
_cell_length_b                           9.0909(3)
_cell_length_c                           11.1315(4)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        120
_cell_volume                             796.71(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
1 0.99(2)
1 0 0
0 1 0
0 0 1
2 0.01(2)
-1 0 0
0 -1 0
0 0 -1

_cell_formula_units_Z                    1

_cell_measurement_reflns_used            ?
_cell_measurement_theta_min              ?
_cell_measurement_theta_max              ?
_cell_measurement_temperature            293
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            6.3731
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     1269

_exptl_absorpt_coefficient_mu            34.235
_exptl_crystal_description               block
_exptl_crystal_size_max                  0.020
_exptl_crystal_size_mid                  0.020
_exptl_crystal_size_min                  0.010
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    silver
_exptl_absorpt_correction_type           Gaussian
_exptl_absorpt_process_details
 'Jana2006'
_exptl_absorpt_correction_T_min          0.770
_exptl_absorpt_correction_T_max          0.949
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
-10 30 -28 0.003
10 1 30 0.0143
30 8 -17 0.011
18 -30 29 0.002
9 -30 -3 0.0098
-29 30 -14 0.0044

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

# 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                    32688
_diffrn_reflns_theta_min                 1.83
_diffrn_reflns_theta_max                 35.51
_diffrn_reflns_theta_full                35.51
_diffrn_measured_fraction_theta_max      1
_diffrn_measured_fraction_theta_full     1
_diffrn_reflns_av_R_equivalents          0.1062
_diffrn_reflns_av_unetI/netI             0.0553
_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               -18
_diffrn_reflns_limit_l_max               18
_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                     1377
_reflns_number_gt                        978
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         Fsqd
_refine_ls_R_factor_gt                   0.0256
_refine_ls_wR_factor_gt                  0.0487
_refine_ls_R_factor_all                  0.0413
_refine_ls_wR_factor_ref                 0.0513
_refine_ls_goodness_of_fit_ref           0.86
_refine_ls_goodness_of_fit_gt            0.98
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 1377
_refine_ls_number_parameters             38
_refine_ls_number_restraints             0
_refine_ls_number_constraints            13
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(I)+0.0004I²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0007
_refine_ls_shift/su_mean                 0.0001
_refine_diff_density_max                 1.03
_refine_diff_density_min                 -0.89
_refine_ls_extinction_method
 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef               48(12)
_refine_ls_abs_structure_details
;  585 of Friedel pairs used in the refinement
;
_refine_ls_abs_structure_Flack            0.01(2)
_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'
 Au  -2.0133  8.8022
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 La  -0.2871  2.4523
 '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
  La1 La 0.25326(10) 0 0 Uani 0.0182(3) 3 1 d . . .
  La2 La 0.23042(9) 0.23042(9) 0.5 Uani 0.0156(3) 3 1 d . . .
  La3 La 0.333333 0.666667 0.66154(7) Uani 0.01615(16) 4 1 d . . .
  La4 La 0.39062(7) 0.39062(7) 0.16572(6) Uani 0.01798(18) 6 1 d . . .
  Al1 Al 0.333333 0.666667 0 Uani 0.0150(12) 2 1 d . . .
  Al2 Al 0 0 0.2317(2) Uani 0.0181(7) 2 0.804(4) d . . .
  Au2 Au 0 0 0.2317(2) Uani 0.0181(7) 2 0.196(4) d . . .
  Al3 Al 0.4203(3) 0 0.5 Uani 0.0165(9) 3 0.881(3) d . . .
  Au3 Au 0.4203(3) 0 0.5 Uani 0.0165(9) 3 0.119(3) d . . .
  Al4 Al 0.28419(10) 0 0.28971(8) Uani 0.0168(3) 6 0.649(3) d . . .
  Au4 Au 0.28419(10) 0 0.28971(8) Uani 0.0168(3) 6 0.351(3) 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
  La1 La1 . 2_555 3.9880(11) ?
  La1 La1 . 3_555 3.9880(12) ?
  La1 La4 . . 3.6246(7) ?
  La1 La4 . 2_655 3.7261(11) ?
  La1 La4 . 3_555 3.6246(6) ?
  La1 La4 . 4_555 3.6246(7) ?
  La1 La4 . 5_655 3.7261(11) ?
  La1 La4 . 6_555 3.6246(6) ?
  La1 Al1 . 1_545 3.4522(6) ?
  La1 Al1 . 7_555 3.4522(7) ?
  La1 Al2 . . 3.4573(19) ?
  La1 Al2 . 4_555 3.4573(19) ?
  La1 Au2 . . 3.4573(19) ?
  La1 Au2 . 4_555 3.4573(19) ?
  La1 Al4 . . 3.2374(9) ?
  La1 Al4 . 4_555 3.2374(9) ?
  La1 Au4 . . 3.2374(9) ?
  La1 Au4 . 4_555 3.2374(9) ?
  La2 La2 . 2_555 3.6284(11) ?
  La2 La2 . 3_555 3.6284(11) ?
  La2 La3 . . 4.0157(9) ?
  La2 La3 . 4_556 4.0157(9) ?
  La2 La3 . 7_556 4.0157(9) ?
  La2 La3 . 10_555 4.0157(9) ?
  La2 La4 . . 3.9958(7) ?
  La2 La4 . 4_556 3.9958(7) ?
  La2 Al2 . . 3.648(2) ?
  La2 Al2 . 4_556 3.648(2) ?
  La2 Au2 . . 3.648(2) ?
  La2 Au2 . 4_556 3.648(2) ?
  La2 Al3 . . 3.314(2) ?
  La2 Al3 . 2_555 3.314(2) ?
  La2 Al3 . 3_665 3.1753(19) ?
  La2 Au3 . . 3.314(2) ?
  La2 Au3 . 2_555 3.314(2) ?
  La2 Au3 . 3_665 3.1753(19) ?
  La2 Al4 . . 3.3360(10) ?
  La2 Al4 . 2_555 3.3360(10) ?
  La2 Al4 . 3_665 4.9949(10) ?
  La2 Al4 . 4_556 3.3360(10) ?
  La2 Al4 . 5_556 3.3360(10) ?
  La2 Al4 . 6_666 4.9949(10) ?
  La2 Au4 . . 3.3360(10) ?
  La2 Au4 . 2_555 3.3360(10) ?
  La2 Au4 . 3_665 4.9949(10) ?
  La2 Au4 . 4_556 3.3360(10) ?
  La2 Au4 . 5_556 3.3360(10) ?
  La2 Au4 . 6_666 4.9949(10) ?
  La3 La3 . 4_556 3.5963(11) ?
  La3 La4 . 4_556 3.4020(8) ?
  La3 La4 . 5_666 3.4020(8) ?
  La3 La4 . 6_566 3.4020(10) ?
  La3 Al1 . 1_556 3.7676(8) ?
  La3 Al3 . 1_565 3.2627(7) ?
  La3 Al3 . 2_555 3.2627(7) ?
  La3 Al3 . 3_665 3.263(3) ?
  La3 Au3 . 1_565 3.2627(7) ?
  La3 Au3 . 2_555 3.2627(7) ?
  La3 Au3 . 3_665 3.263(3) ?
  La3 Al4 . 4_566 3.3212(6) ?
  La3 Al4 . 5_556 3.3212(6) ?
  La3 Al4 . 6_666 3.3212(10) ?
  La3 Au4 . 4_566 3.3212(6) ?
  La3 Au4 . 5_556 3.3212(6) ?
  La3 Au4 . 6_666 3.3212(10) ?
  La4 La4 . 2_655 4.8609(13) ?
  La4 La4 . 2_665 4.8609(11) ?
  La4 La4 . 3_565 4.8609(13) ?
  La4 La4 . 3_665 4.8609(11) ?
  La4 La4 . 4_555 3.6895(9) ?
  La4 Al1 . . 3.3584(7) ?
  La4 Al1 . 7_555 3.3584(7) ?
  La4 Al2 . . 3.6261(8) ?
  La4 Au2 . . 3.6261(8) ?
  La4 Al3 . 3_665 4.0989(10) ?
  La4 Au3 . 3_665 4.0989(10) ?
  La4 Al4 . . 3.4664(8) ?
  La4 Al4 . 2_555 3.4664(8) ?
  La4 Al4 . 3_665 3.2628(9) ?
  La4 Au4 . . 3.4664(8) ?
  La4 Au4 . 2_555 3.4664(8) ?
  La4 Au4 . 3_665 3.2628(9) ?
  Al1 Al4 . 1_565 4.5976(7) ?
  Al1 Al4 . 2_555 4.5976(8) ?
  Al1 Al4 . 3_665 4.5976(9) ?
  Al1 Al4 . 4_565 4.5976(7) ?
  Al1 Al4 . 5_555 4.5976(8) ?
  Al1 Al4 . 6_665 4.5976(9) ?
  Al1 Au4 . 1_565 4.5976(7) ?
  Al1 Au4 . 2_555 4.5976(8) ?
  Al1 Au4 . 3_665 4.5976(9) ?
  Al1 Au4 . 4_565 4.5976(7) ?
  Al1 Au4 . 5_555 4.5976(8) ?
  Al1 Au4 . 6_665 4.5976(9) ?
  Al2 Al3 . . 4.850(2) ?
  Al2 Al3 . 2_555 4.850(2) ?
  Al2 Al3 . 3_555 4.850(2) ?
  Al2 Au3 . . 4.850(2) ?
  Al2 Au3 . 2_555 4.850(2) ?
  Al2 Au3 . 3_555 4.850(2) ?
  Al2 Al4 . . 2.6631(11) ?
  Al2 Al4 . 2_555 2.6631(11) ?
  Al2 Al4 . 3_555 2.6631(9) ?
  Al2 Au4 . . 2.6631(11) ?
  Al2 Au4 . 2_555 2.6631(11) ?
  Al2 Au4 . 3_555 2.6631(9) ?
  Au2 Al3 . . 4.850(2) ?
  Au2 Al3 . 2_555 4.850(2) ?
  Au2 Al3 . 3_555 4.850(2) ?
  Au2 Au3 . . 4.850(2) ?
  Au2 Au3 . 2_555 4.850(2) ?
  Au2 Au3 . 3_555 4.850(2) ?
  Au2 Al4 . . 2.6631(11) ?
  Au2 Al4 . 2_555 2.6631(11) ?
  Au2 Al4 . 3_555 2.6631(9) ?
  Au2 Au4 . . 2.6631(11) ?
  Au2 Au4 . 2_555 2.6631(11) ?
  Au2 Au4 . 3_555 2.6631(9) ?
  Al3 Al3 . 2_545 4.7156(19) ?
  Al3 Al3 . 2_655 4.7156(19) ?
  Al3 Al3 . 3_655 4.716(3) ?
  Al3 Al3 . 3_665 4.716(3) ?
  Al3 Au3 . 2_545 4.7156(19) ?
  Al3 Au3 . 2_655 4.7156(19) ?
  Al3 Au3 . 3_655 4.716(3) ?
  Al3 Au3 . 3_665 4.716(3) ?
  Al3 Al4 . . 2.6475(15) ?
  Al3 Al4 . 4_556 2.6475(15) ?
  Al3 Au4 . . 2.6475(15) ?
  Al3 Au4 . 4_556 2.6475(15) ?
  Au3 Au3 . 2_545 4.7156(19) ?
  Au3 Au3 . 2_655 4.7156(19) ?
  Au3 Au3 . 3_655 4.716(3) ?
  Au3 Au3 . 3_665 4.716(3) ?
  Au3 Al4 . . 2.6475(15) ?
  Au3 Al4 . 4_556 2.6475(15) ?
  Au3 Au4 . . 2.6475(15) ?
  Au3 Au4 . 4_556 2.6475(15) ?
  Al4 Al4 . 2_555 4.4748(11) ?
  Al4 Al4 . 3_555 4.4748(12) ?
  Al4 Al4 . 4_556 4.6811(13) ?
  Al4 Au4 . 2_555 4.4748(11) ?
  Al4 Au4 . 3_555 4.4748(12) ?
  Al4 Au4 . 4_556 4.6811(13) ?
  Au4 Au4 . 2_555 4.4748(11) ?
  Au4 Au4 . 3_555 4.4748(12) ?
  Au4 Au4 . 4_556 4.6811(13) ?

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
 ? ? ? ? ? ? ? ?

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



