data_Sb2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   7.35
_cell_angle_alpha   103.89
_cell_angle_beta   103.89
_cell_angle_gamma   57.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2POs
_chemical_formula_sum   'Sb2 P1 Os1'
_cell_volume   81.57
_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  0.13  0.0  0.26  1.0
  Sb  Sb3  1  0.36  0.0  0.81  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.25  0.0  0.54  1.0

data_Sb2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.71
_cell_length_c   7.35
_cell_angle_alpha   103.89
_cell_angle_beta   90.0
_cell_angle_gamma   118.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2POs
_chemical_formula_sum   'Sb2 P1 Os1'
_cell_volume   81.57
_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  0.64  0.19  1.0
  Sb  Sb1  1  0.0  0.87  0.74  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.75  0.46  1.0

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