data_POs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs2Pd
_chemical_formula_sum   'P1 Os2 Pd1'
_cell_volume   56.85
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  P  P2  1  0.0  0.0  0.47  1.0
  Os  Os0  1  0.0  0.0  0.11  1.0
  Os  Os1  1  0.41  0.41  0.9  1.0
  Pd  Pd3  1  0.41  0.41  0.23  1.0

data_POs2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   POs2Pd
_chemical_formula_sum   'P2 Os4 Pd2'
_cell_volume   113.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  P  P0  2  0.0  0.0  0.47  1.0
  Os  Os1  2  0.0  0.0  0.11  1.0
  Pd  Pd2  2  0.41  0.0  0.23  1.0
  Os  Os3  2  0.41  0.0  0.9  1.0

P Os Os Pd
P Os Os Pd 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 0 + o o 0 0 o + o 0 1 o o o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 o o - 1 2 o - - 1 2 - o - 1 2 - - - 2 2 + o o 2 2 o + o 2 3 o o + 