data_global
_chemical_name_mineral 'Seligmannite'
loop_
_publ_author_name
'Takeuchi Y'
'Haga N'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 130 
_journal_year 1969
_journal_page_first 254
_journal_page_last 260
_publ_section_title
;
 On the crystal structures of seligmannite, PbCuAsS3, and related minerals
;
_database_code_amcsd 0010700
_chemical_formula_sum 'Pb Cu As S3'
_cell_length_a 8.081
_cell_length_b 8.747
_cell_length_c 7.636
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 539.747
_exptl_crystal_density_diffrn      5.438
_symmetry_space_group_name_H-M 'P n 21 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2+z'
  'x,y,-z'
  '-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_U_iso_or_equiv
Pb1   0.07620   0.00000   0.00000   0.01229
Pb2   0.55580   0.19230   0.50000   0.00988
Cu   0.27860   0.42870   0.24190   0.00228
As1   0.07160   0.07730   0.50000   0.00253
As2   0.50680   0.15700   0.00000   0.00253
S1   0.25550   0.27610   0.00000   0.00127
S2   0.22570   0.29600   0.50000   0.00127
S3   0.10120   0.64750   0.23510   0.00127
S4   0.56010   0.49700   0.26310   0.00127