data_global
_chemical_name_mineral 'Vysotskite'
loop_
_publ_author_name
'Brese N E'
'Squattrito P J'
'Ibers J A'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 41 
_journal_year 1985
_journal_page_first 1829
_journal_page_last 1830
_publ_section_title
;
 Reinvestigation of the structure of PdS
;
_database_code_amcsd 0010019
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pd S'
_cell_length_a 6.429
_cell_length_b 6.429
_cell_length_c 6.611
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 273.246
_exptl_crystal_density_diffrn      6.733
_symmetry_space_group_name_H-M 'P 42/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x,1/2-z'
  '-y,x,1/2+z'
  'x,y,-z'
  '-x,-y,z'
  '-y,x,1/2-z'
  'y,-x,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pd1   0.00000   0.00000   0.25000   0.00443
Pd2   0.50000   0.00000   0.00000   0.00418
Pd3   0.25713   0.46779   0.00000   0.00418
S   0.30754   0.19361   0.22904   0.00469