data_global
_chemical_name_mineral 'Betekhtinite'
loop_
_publ_author_name
'Dornberger-Schiff K'
'Hohne E'
_journal_name_full 'Acta Crystallographica'
_journal_volume 12 
_journal_year 1959
_journal_page_first 646
_journal_page_last 651
_publ_section_title
;
 Die kristallstruktur des betechtinit Pb2(Cu,Fe)21S15
;
_database_code_amcsd 0009232
_chemical_formula_sum 'Pb2 Cu21.332 S15'
_cell_length_a 3.86
_cell_length_b 14.67
_cell_length_c 22.80
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1291.077
_exptl_crystal_density_diffrn      5.790
_symmetry_space_group_name_H-M 'I m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb   0.00000   0.14700   0.00000   1.00000
Cu1   0.50000   0.36400   0.06700   1.00000
Cu2   0.00000   0.50000   0.06400   1.00000
Cu3   0.00000   0.50000   0.18500   1.00000
Cu4   0.00000   0.26600   0.14100   1.00000
Cu5   0.00000   0.09700   0.23300   1.00000
Cu6   0.50000   0.24800   0.21200   0.50000
Cu7   0.50000   0.11700   0.16700   0.50000
Cu8   0.50000   0.03400   0.10100   0.33300
S1   0.50000   0.22000   0.09600   1.00000
S2   0.00000   0.37500   0.00000   1.00000
S3   0.50000   0.50000   0.11700   1.00000
S4   0.00000   0.36000   0.22200   1.00000
S5   0.00000   0.00000   0.15000   1.00000
S6   0.50000   0.00000   0.00000   1.00000