# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 2213383'
loop_
_audit_author_name
_audit_author_address
'Thomas Doert'
;Technische Universitaet Dresden
Germany
;
_audit_update_record             
;
2022-10-18 deposited with the CCDC.	2023-01-05 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_ATOM006_I                   
;
PROBLEM: _atom_site_U_iso_or_equiv is missing
RESPONSE: _atom_site_B_iso_or_equiv is given instead
;
# end Validation Reply Form

_chemical_name_systematic        'Nickel rhodium antimony (1/2/1)'
_chemical_formula_moiety         'Ni Rh2 Sb'
_chemical_formula_structural     'Ni Rh2 Sb'
_chemical_formula_sum            'Ni Rh2 Sb'
_chemical_name_structure_type    ?
_chemical_name_mineral           NiRh2Sb
_chemical_formula_weight         386.27

_symmetry_cell_setting           orthorhombic
_cell_length_a                   6.9188(1)
_cell_length_b                   5.7917(1)
_cell_length_c                   5.7374(1)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     229.91(1)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(1)

_exptl_crystal_density_diffrn    11.160(1)
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             676.0

_symmetry_space_group_name_H-M   Cmcm
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_Int_Tables_number      63

_diffrn_ambient_temperature      296(1)
_diffrn_source                   ?
_diffrn_source_target            Cu
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.540598
_diffrn_source_type              'sealed X-ray tube'
_diffrn_measurement_device_type  'PANalytical Empyrean diffractometer'
_diffrn_detector                 ?
_diffrn_detector_type            ?

_pd_char_colour                  black

_pd_meas_scan_method             step
_pd_meas_number_of_points        7691
_pd_meas_2theta_range_min        15
_pd_meas_2theta_range_max        115
_pd_meas_2theta_range_inc        0.013

_refine_ls_R_factor_all          0.0419
_refine_ls_goodness_of_fit_all   0.973
_refine_ls_number_parameters     32

_pd_proc_ls_profile_function     'Pseudo Voigt'
_pd_proc_ls_background_function  'Shifted Chebychev'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_prof_R_factor        0.0419
_pd_proc_ls_prof_wR_factor       0.0543
_pd_proc_ls_prof_wR_expected     0.0557

_computing_data_collection       'PANalytical data collector'
_computing_cell_refinement       'TOPAS-Academic v.5'
_computing_data_reduction        'TOPAS-Academic v.5'
_computing_structure_solution    'JANA 2006, Superflip'
_computing_structure_refinement  'TOPAS-Academic v.5'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,1/2+z
3 x,-y,-z
4 -x,y,1/2-z
5 -x,-y,-z
6 x,y,1/2-z
7 -x,y,z
8 x,-y,1/2+z
9 1/2+x,1/2+y,z
10 1/2-x,1/2-y,1/2+z
11 1/2+x,1/2-y,-z
12 1/2-x,1/2+y,1/2-z
13 1/2-x,1/2-y,-z
14 1/2+x,1/2+y,1/2-z
15 1/2-x,1/2+y,z
16 1/2+x,1/2-y,1/2+z

loop_
_atom_type_symbol
_atom_type_oxidation_number
Sb 0
Rh 0
Ni 0

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Sb1 Sb 4 c 0 0.2733(4) 0.25 1 0.62(3)
Rh1 Rh 8 e 0.2260(1) 0 0 1 0.72(3)
Ni1 Ni 4 c 0 0.7228(8) 0.25 1 0.70(7)

_geom_special_details            ?
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
Rh1 Ni1 . 10_554 2.7049(23) no
Rh1 Ni1 . 1_545 2.6608(28) no
Rh1 Ni1 . 9_545 2.7049(23) no
Sb1 Rh1 . 6 2.6472(14) no
Sb1 Rh1 . . 2.6472(14) no
Sb1 Rh1 . 10 2.7157(12) no
Sb1 Rh1 . 9_455 2.7157(12) no
Sb1 Rh1 . 14_455 2.7157(12) no
Sb1 Rh1 . 2 2.6472(14) no
Sb1 Ni1 . 2_564 2.8688(1) no
Sb1 Ni1 . 1_545 3.1883(52) no
Sb1 Ni1 . . 2.6034(52) no
Rh1 Rh1 . 6_554 2.86870(10) no
Rh1 Rh1 . 6 2.86870(10) no
Rh1 Rh1 . 13_545 2.9148(1) no

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
Ni1 Rh1 Ni1 2_564 . 9_545 114.2() no
Ni1 Rh1 Ni1 9_545 . 1_545 114.45(0) no
Ni1 Rh1 Ni1 9_545 . 10_554 91.01(0) no
Ni1 Rh1 Ni1 2_564 . 1_545 108.02(0) no
Sb1 Rh1 Sb1 10_554 . . 114.17(0) no
Sb1 Rh1 Rh1 10_554 . 6 121.88(0) no
Sb1 Rh1 Sb1 10_554 . 9_545 91.46(0) no
Sb1 Rh1 Sb1 2_554 . . 107.59(0) no
Rh1 Rh1 Rh1 13 . 13_545 166.92(0) no
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2213384'
loop_
_audit_author_name
_audit_author_address
'Thomas Doert'
;Technische Universitaet Dresden
Germany
;
_audit_update_record             
;
2022-10-18 deposited with the CCDC.	2023-01-05 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_ATOM006_I                   
;
PROBLEM: _atom_site_U_iso_or_equiv is missing
RESPONSE: _atom_site_B_iso_or_equiv is given instead
;
# end Validation Reply Form

_chemical_name_systematic        'Copper rhodium antimony (1/2/1)'
_chemical_formula_moiety         'Cu Rh2 Sb'
_chemical_formula_structural     'Cu Rh2 Sb'
_chemical_formula_sum            'Cu Rh2 Sb'
_chemical_name_structure_type    VRh2Sn
_chemical_name_mineral           CuRh2Sb
_chemical_formula_weight         391.12

_symmetry_cell_setting           tetragonal
_cell_length_a                   4.1859(1)
_cell_length_b                   4.1859(1)
_cell_length_c                   6.6375(1)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     116.30(1)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(1)

_exptl_crystal_density_diffrn    11.170(1)
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             340

_symmetry_space_group_name_H-M   'I 4/m m m'
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_Int_Tables_number      139

_diffrn_ambient_temperature      296(1)
_diffrn_source                   ?
_diffrn_source_target            Cu
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.540598
_diffrn_source_type              'sealed X-ray tube'
_diffrn_measurement_device_type  'PANalytical Empyrean diffractometer'
_diffrn_detector                 ?
_diffrn_detector_type            ?

_pd_char_colour                  black

_pd_meas_scan_method             step
_pd_meas_number_of_points        10385
_pd_meas_2theta_range_min        5
_pd_meas_2theta_range_max        140
_pd_meas_2theta_range_inc        0.013

_refine_ls_R_factor_all          0.0405
_refine_ls_goodness_of_fit_all   1.125
_refine_ls_number_parameters     40

_pd_proc_ls_profile_function     'Pseudo Voigt'
_pd_proc_ls_background_function  'Shifted Chebychev'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_prof_R_factor        0.0405
_pd_proc_ls_prof_wR_factor       0.0536
_pd_proc_ls_prof_wR_expected     0.0476

_computing_data_collection       'PANalytical data collector'
_computing_cell_refinement       'TOPAS-Academic v.5'
_computing_data_reduction        'TOPAS-Academic v.5'
_computing_structure_solution    'TOPAS-Academic v.5'
_computing_structure_refinement  'TOPAS-Academic v.5'
_computing_molecular_graphics    ?
_computing_publication_material  ?


loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 x,-y,-z
6 -x,y,-z
7 y,x,-z
8 -y,-x,-z
9 -x,-y,-z
10 y,-x,-z
11 x,y,-z
12 -y,x,-z
13 -x,y,z
14 x,-y,z
15 -y,-x,z
16 y,x,z
17 1/2+x,1/2+y,1/2+z
18 1/2-y,1/2+x,1/2+z
19 1/2-x,1/2-y,1/2+z
20 1/2+y,1/2-x,1/2+z
21 1/2+x,1/2-y,1/2-z
22 1/2-x,1/2+y,1/2-z
23 1/2+y,1/2+x,1/2-z
24 1/2-y,1/2-x,1/2-z
25 1/2-x,1/2-y,1/2-z
26 1/2+y,1/2-x,1/2-z
27 1/2+x,1/2+y,1/2-z
28 1/2-y,1/2+x,1/2-z
29 1/2-x,1/2+y,1/2+z
30 1/2+x,1/2-y,1/2+z
31 1/2-y,1/2-x,1/2+z
32 1/2+y,1/2+x,1/2+z

loop_
_atom_type_symbol
_atom_type_oxidation_number
Sb 0
Rh 0
Cu 0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Sb1 Sb 2 a 0 0 0 1 2.11(4)
Rh1 Rh 4 d 0 0.5 0.25 1 2.07(3)
Cu1 Cu 2 b 0 0 0.5 1 2.56(9)

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
Rh1 Cu1 . 17_454 2.6709(1) no
Rh1 Rh1 . 2 2.9599(1) no
Sb1 Rh1 . 18_554 2.6709(1) no
Sb1 Cu1 . 17_444 2.9599(1) no
Sb1 Cu1 . . 3.3187(1) no

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
Sb1 Rh1 Sb1 17_455 . 17 103.18(0) no
Rh1 Rh1 Rh1 2_565 . 2 90.0() no
Cu1 Rh1 Cu1 . . 17_454 112.7() no
Rh1 Cu1 Rh1 17_545 . 2_655 76.82(0) no
Cu1 Rh1 Cu1 17_454 . 17_554 103.18(0) no
Sb1 Rh1 Sb1 17_455 . 1_565 112.7() no
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2213520'
loop_
_audit_author_name
_audit_author_address
'Thomas Doert'
;Technische Universitaet Dresden
Germany
;
_audit_update_record             
;
2022-10-18 deposited with the CCDC.	2023-01-05 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_ATOM006_I                   
;
PROBLEM: _atom_site_U_iso_or_equiv is missing
RESPONSE: _atom_site_B_iso_or_equiv is given instead
;
# end Validation Reply Form


_chemical_name_systematic        'Copper rhodium antimony (1/2/1)'
_chemical_formula_moiety         'Cu Rh2 Sb'
_chemical_formula_structural     'Cu Rh2 Sb'
_chemical_formula_sum            'Cu Rh2 Sb'
_chemical_name_structure_type    Heusler(full)#AlCu2Mn
_chemical_name_mineral           CuRh2Sb
_chemical_formula_weight         391.12

_symmetry_cell_setting           cubic
_cell_length_a                   6.12352(3)
_cell_length_b                   6.12352(3)
_cell_length_c                   6.12352(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     229.617(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(1)

_exptl_crystal_density_diffrn    11.31(1)
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             680.0
_symmetry_space_group_name_H-M   Fm-3m
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_Int_Tables_number      225

_diffrn_ambient_temperature      296(1)
_diffrn_source                   ?
_diffrn_source_target            Cu
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.540598
_diffrn_source_type              'sealed X-ray tube'
_diffrn_measurement_device_type  'PANalytical Empyrean diffractometer'
_diffrn_detector                 ?
_diffrn_detector_type            ?

_pd_char_colour                  metallic-grey

_pd_meas_scan_method             step
_pd_meas_number_of_points        10385
_pd_meas_2theta_range_min        5
_pd_meas_2theta_range_max        140
_pd_meas_2theta_range_inc        0.013

_refine_ls_R_factor_all          0.0307
_refine_ls_goodness_of_fit_all   1.063
_refine_ls_number_parameters     42

_pd_proc_ls_profile_function     'Pseudo Voigt'
_pd_proc_ls_background_function  'Shifted Chebychev'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_prof_R_factor        0.0307
_pd_proc_ls_prof_wR_factor       0.0418
_pd_proc_ls_prof_wR_expected     0.0393

_computing_data_collection       'PANalytical data collector'
_computing_cell_refinement       'TOPAS-Academic v.5'
_computing_data_reduction        'TOPAS-Academic v.5'
_computing_structure_solution    'JANA 2006, Superflip'
_computing_structure_refinement  'TOPAS-Academic v.5'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 x,-z,y
6 x,-y,-z
7 x,z,-y
8 z,y,-x
9 -x,y,-z
10 -z,y,x
11 z,x,y
12 y,z,x
13 -y,-z,x
14 z,-x,-y
15 -y,z,-x
16 -z,-x,y
17 -z,x,-y
18 y,-z,-x
19 y,x,-z
20 -y,-x,-z
21 -x,z,y
22 -x,-z,-y
23 z,-y,x
24 -z,-y,-x
25 -x,-y,-z
26 y,-x,-z
27 x,y,-z
28 -y,x,-z
29 -x,z,-y
30 -x,y,z
31 -x,-z,y
32 -z,-y,x
33 x,-y,z
34 z,-y,-x
35 -z,-x,-y
36 -y,-z,-x
37 y,z,-x
38 -z,x,y
39 y,-z,x
40 z,x,-y
41 z,-x,y
42 -y,z,x
43 -y,-x,z
44 y,x,z
45 x,-z,-y
46 x,z,y
47 -z,y,-x
48 z,y,x
49 x,1/2+y,1/2+z
50 -y,1/2+x,1/2+z
51 -x,1/2-y,1/2+z
52 y,1/2-x,1/2+z
53 x,1/2-z,1/2+y
54 x,1/2-y,1/2-z
55 x,1/2+z,1/2-y
56 z,1/2+y,1/2-x
57 -x,1/2+y,1/2-z
58 -z,1/2+y,1/2+x
59 z,1/2+x,1/2+y
60 y,1/2+z,1/2+x
61 -y,1/2-z,1/2+x
62 z,1/2-x,1/2-y
63 -y,1/2+z,1/2-x
64 -z,1/2-x,1/2+y
65 -z,1/2+x,1/2-y
66 y,1/2-z,1/2-x
67 y,1/2+x,1/2-z
68 -y,1/2-x,1/2-z
69 -x,1/2+z,1/2+y
70 -x,1/2-z,1/2-y
71 z,1/2-y,1/2+x
72 -z,1/2-y,1/2-x
73 -x,1/2-y,1/2-z
74 y,1/2-x,1/2-z
75 x,1/2+y,1/2-z
76 -y,1/2+x,1/2-z
77 -x,1/2+z,1/2-y
78 -x,1/2+y,1/2+z
79 -x,1/2-z,1/2+y
80 -z,1/2-y,1/2+x
81 x,1/2-y,1/2+z
82 z,1/2-y,1/2-x
83 -z,1/2-x,1/2-y
84 -y,1/2-z,1/2-x
85 y,1/2+z,1/2-x
86 -z,1/2+x,1/2+y
87 y,1/2-z,1/2+x
88 z,1/2+x,1/2-y
89 z,1/2-x,1/2+y
90 -y,1/2+z,1/2+x
91 -y,1/2-x,1/2+z
92 y,1/2+x,1/2+z
93 x,1/2-z,1/2-y
94 x,1/2+z,1/2+y
95 -z,1/2+y,1/2-x
96 z,1/2+y,1/2+x
97 1/2+x,y,1/2+z
98 1/2-y,x,1/2+z
99 1/2-x,-y,1/2+z
100 1/2+y,-x,1/2+z
101 1/2+x,-z,1/2+y
102 1/2+x,-y,1/2-z
103 1/2+x,z,1/2-y
104 1/2+z,y,1/2-x
105 1/2-x,y,1/2-z
106 1/2-z,y,1/2+x
107 1/2+z,x,1/2+y
108 1/2+y,z,1/2+x
109 1/2-y,-z,1/2+x
110 1/2+z,-x,1/2-y
111 1/2-y,z,1/2-x
112 1/2-z,-x,1/2+y
113 1/2-z,x,1/2-y
114 1/2+y,-z,1/2-x
115 1/2+y,x,1/2-z
116 1/2-y,-x,1/2-z
117 1/2-x,z,1/2+y
118 1/2-x,-z,1/2-y
119 1/2+z,-y,1/2+x
120 1/2-z,-y,1/2-x
121 1/2-x,-y,1/2-z
122 1/2+y,-x,1/2-z
123 1/2+x,y,1/2-z
124 1/2-y,x,1/2-z
125 1/2-x,z,1/2-y
126 1/2-x,y,1/2+z
127 1/2-x,-z,1/2+y
128 1/2-z,-y,1/2+x
129 1/2+x,-y,1/2+z
130 1/2+z,-y,1/2-x
131 1/2-z,-x,1/2-y
132 1/2-y,-z,1/2-x
133 1/2+y,z,1/2-x
134 1/2-z,x,1/2+y
135 1/2+y,-z,1/2+x
136 1/2+z,x,1/2-y
137 1/2+z,-x,1/2+y
138 1/2-y,z,1/2+x
139 1/2-y,-x,1/2+z
140 1/2+y,x,1/2+z
141 1/2+x,-z,1/2-y
142 1/2+x,z,1/2+y
143 1/2-z,y,1/2-x
144 1/2+z,y,1/2+x
145 1/2+x,1/2+y,z
146 1/2-y,1/2+x,z
147 1/2-x,1/2-y,z
148 1/2+y,1/2-x,z
149 1/2+x,1/2-z,y
150 1/2+x,1/2-y,-z
151 1/2+x,1/2+z,-y
152 1/2+z,1/2+y,-x
153 1/2-x,1/2+y,-z
154 1/2-z,1/2+y,x
155 1/2+z,1/2+x,y
156 1/2+y,1/2+z,x
157 1/2-y,1/2-z,x
158 1/2+z,1/2-x,-y
159 1/2-y,1/2+z,-x
160 1/2-z,1/2-x,y
161 1/2-z,1/2+x,-y
162 1/2+y,1/2-z,-x
163 1/2+y,1/2+x,-z
164 1/2-y,1/2-x,-z
165 1/2-x,1/2+z,y
166 1/2-x,1/2-z,-y
167 1/2+z,1/2-y,x
168 1/2-z,1/2-y,-x
169 1/2-x,1/2-y,-z
170 1/2+y,1/2-x,-z
171 1/2+x,1/2+y,-z
172 1/2-y,1/2+x,-z
173 1/2-x,1/2+z,-y
174 1/2-x,1/2+y,z
175 1/2-x,1/2-z,y
176 1/2-z,1/2-y,x
177 1/2+x,1/2-y,z
178 1/2+z,1/2-y,-x
179 1/2-z,1/2-x,-y
180 1/2-y,1/2-z,-x
181 1/2+y,1/2+z,-x
182 1/2-z,1/2+x,y
183 1/2+y,1/2-z,x
184 1/2+z,1/2+x,-y
185 1/2+z,1/2-x,y
186 1/2-y,1/2+z,x
187 1/2-y,1/2-x,z
188 1/2+y,1/2+x,z
189 1/2+x,1/2-z,-y
190 1/2+x,1/2+z,y
191 1/2-z,1/2+y,-x
192 1/2+z,1/2+y,x

loop_
_atom_type_symbol
_atom_type_oxidation_number
Cu 0
Rh 0
Sb 0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Cu1 Cu 4 a 0 0 0 1 1.13(6)
Rh1 Rh 8 c 0.25 0.25 0.25 1 0.64(2)
Sb1 Sb 4 b 0.5 0.5 0.5 1 0.91(3)

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
Rh1 Sb1 . . 2.65160(10) no
Cu1 Rh1 . 97_454 2.65160(10) no
Rh1 Rh1 . 98_554 3.06180(10) no

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
Cu1 Rh1 Sb1 49 . . 70.53(0) no
Cu1 Rh1 Cu1 49 . . 109.47(0) no
Sb1 Rh1 Sb1 145_445 . 97_454 109.47(0) no
Rh1 Rh1 Rh1 146_545 . 98 90.0() no
