data_POs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   147.38
_cell_angle_beta   131.87
_cell_angle_gamma   59.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs2Pt
_chemical_formula_sum   'P1 Os2 Pt1'
_cell_volume   56.69
_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  0.48  1.0
  Os  Os0  1  0.0  0.0  0.07  1.0
  Os  Os1  1  0.47  0.0  0.64  1.0
  Pt  Pt3  1  0.0  0.13  0.88  1.0

data_POs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.26
_cell_length_c   5.22
_cell_angle_alpha   114.07
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs2Pt
_chemical_formula_sum   'P1 Os2 Pt1'
_cell_volume   56.69
_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  0.48  0.48  1.0
  Os  Os1  1  0.0  0.07  0.07  1.0
  Os  Os2  1  0.0  0.64  0.17  1.0
  Pt  Pt3  1  0.87  0.75  0.75  1.0

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