data_global
_chemical_name_mineral 'Muckeite'
loop_
_publ_author_name
'Bente K'
'Doering T'
'Edenharter A'
'Kupcik V'
'Steins M'
'Wendschuh-Josties M'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 127
_journal_page_last 128
_publ_section_title
;
 Structure of the new mineral muckeite, BiCuNiS3
;
_database_code_amcsd 0010090
_chemical_formula_sum '(Sb.1 Bi.9) (Cu Ni) S3'
_cell_length_a 7.514
_cell_length_b 12.557
_cell_length_c 4.8880
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 461.199
_exptl_crystal_density_diffrn      6.030
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Sb   0.37685   0.13292   0.93528   0.10000   0.02280
Bi   0.37685   0.13292   0.93528   0.90000   0.02280
CuM1   0.38250   0.43787   0.97540   0.50000   0.02913
NiM1   0.38250   0.43787   0.97540   0.50000   0.02913
CuM2   0.12824   0.25020   0.50418   0.50000   0.02026
NiM2   0.12824   0.25020   0.50418   0.50000   0.02026
S1   0.12890   0.40728   0.71660   1.00000   0.02406
S2   0.37848   0.29743   0.28160   1.00000   0.02280
S3   0.12620   0.09262   0.29010   1.00000   0.02406
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Sb 0.02523 0.02125 0.02209 0.00081 0.00015 -0.00050
Bi 0.02523 0.02125 0.02209 0.00081 0.00015 -0.00050
CuM1 0.02900 0.02628 0.03260 0.00167 -0.00058 0.00100
NiM1 0.02900 0.02628 0.03260 0.00167 -0.00058 0.00100
CuM2 0.02194 0.01853 0.02052 -0.00134 0.00171 0.00022
NiM2 0.02194 0.01853 0.02052 -0.00134 0.00171 0.00022
S1 0.02623 0.01925 0.02627 -0.00167 -0.00800 -0.00034
S2 0.02091 0.02380 0.02445 -0.00129 0.00056 0.00112
S3 0.02583 0.01829 0.02663 -0.00124 0.00930 -0.00152