data_Cd2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   3.84
_cell_angle_alpha   101.79
_cell_angle_beta   101.79
_cell_angle_gamma   24.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2POs
_chemical_formula_sum   'Cd2 P1 Os1'
_cell_volume   73.35
_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
  Cd  Cd0  1  0.65  0.0  0.13  1.0
  Cd  Cd1  1  0.93  0.0  0.63  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.29  0.0  0.88  1.0

data_Cd2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.84
_cell_length_c   6.85
_cell_angle_alpha   101.79
_cell_angle_beta   102.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2POs
_chemical_formula_sum   'Cd2 P1 Os1'
_cell_volume   73.35
_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
  Cd  Cd0  1  0.0  0.13  0.65  1.0
  Cd  Cd1  1  0.0  0.63  0.93  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.88  0.29  1.0

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