data_global
_chemical_name_mineral 'Hollingworthite'
loop_
_publ_author_name
'Foecker A J'
'Jeitschko W'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 162 
_journal_year 2001
_journal_page_first 69
_journal_page_last 78
_publ_section_title
;
 The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
 compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
;
_database_code_amcsd 0014012
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pd As S'
_cell_length_a 5.9507
_cell_length_b 5.9507
_cell_length_c 5.9507
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 210.719
_exptl_crystal_density_diffrn      6.727
_symmetry_space_group_name_H-M 'P 21 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '-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_U_iso_or_equiv
Pd   0.99970   0.99970   0.99970   0.00610
As   0.61290   0.61290   0.61290   0.00730
S   0.39190   0.39190   0.39190   0.00610
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
Pd 0.00610 0.00610 0.00610 0.00000 0.00000 0.00000
As 0.00730 0.00730 0.00730 0.00010 0.00010 0.00010
S 0.00610 0.00610 0.00610 0.00100 0.00100 0.00100