data_Sb2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.36
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   110.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2POs
_chemical_formula_sum   'Sb2 P1 Os1'
_cell_volume   82.49
_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
  Sb  Sb2  1  0.08  0.18  0.25  1.0
  Sb  Sb3  1  0.32  0.0  0.9  1.0
  P  P1  1  0.58  0.0  0.31  1.0
  Os  Os0  1  0.72  0.18  0.92  1.0

data_Sb2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.44
_cell_length_c   4.55
_cell_angle_alpha   110.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2POs
_chemical_formula_sum   'Sb2 P1 Os1'
_cell_volume   82.49
_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
  Sb  Sb0  1  0.0  0.68  0.1  1.0
  Sb  Sb1  1  0.82  0.92  0.75  1.0
  P  P2  1  0.0  0.42  0.69  1.0
  Os  Os3  1  0.82  0.28  0.08  1.0

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