data_P2OsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   146.35
_cell_angle_beta   120.21
_cell_angle_gamma   70.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2OsPd
_chemical_formula_sum   'P2 Os1 Pd1'
_cell_volume   59.78
_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  P1  1  0.0  0.5  0.9  1.0
  P  P2  1  0.45  0.0  0.21  1.0
  Os  Os0  1  0.0  0.0  0.11  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_P2OsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.01
_cell_length_c   5.02
_cell_angle_alpha   119.9
_cell_angle_beta   106.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2OsPd
_chemical_formula_sum   'P2 Os1 Pd1'
_cell_volume   59.78
_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  P0  1  0.0  0.21  0.75  1.0
  P  P1  1  0.5  0.39  0.39  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.11  0.11  1.0

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