data_global
_chemical_name_mineral 'Palladosilicide'
loop_
_publ_author_name
'Nylund A'
_journal_name_full 'Acta Chemica Scandinavica'
_journal_volume 20 
_journal_year 1966
_journal_page_first 2381
_journal_page_last 2386
_publ_section_title
;
 Some notes on the palladium-silicon system
;
_database_code_amcsd 0020847
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Pd2 Si'
_cell_length_a 6.496
_cell_length_b 6.496
_cell_length_c 3.433
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 125.457
_exptl_crystal_density_diffrn      9.567
_symmetry_space_group_name_H-M 'P -6 2 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  '-x+y,-x,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x-y,-y,z'
  'x,y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'y,x,z'
  '-y,x-y,-z'
  'x-y,-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   0.26360   0.00000   0.00000   0.00545
Pd2   0.60620   0.00000   0.50000   0.01077
Si1   0.33333   0.66667   0.00000   0.00836
Si2   0.00000   0.00000   0.50000   0.01621