data_global
_amcsd_formula_title 'PdS'
loop_
_publ_author_name
'Wyckoff R W G'
_journal_name_full 'Crystal Structures'
_journal_volume 1 
_journal_year 1963
_journal_page_first 85
_journal_page_last 237
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_database_code_amcsd 0011641
_chemical_formula_sum 'Pd S'
_cell_length_a 6.4287
_cell_length_b 6.4287
_cell_length_c 6.6082
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 273.105
_exptl_crystal_density_diffrn      6.736
_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
Pd1   0.00000   0.00000   0.25000
Pd2   0.00000   0.50000   0.00000
Pd3   0.48000   0.25000   0.50000
S   0.19000   0.32000   0.23000