data_POs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   147.43
_cell_angle_beta   62.05
_cell_angle_gamma   128.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs3
_chemical_formula_sum   'P1 Os3'
_cell_volume   55.03
_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  P3  1  0.0  0.0  0.61  1.0
  Os  Os0  1  0.43  0.13  0.93  1.0
  Os  Os1  1  0.43  0.87  0.93  1.0
  Os  Os2  1  0.0  0.37  0.88  1.0

data_POs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.41
_cell_length_c   5.1
_cell_angle_alpha   115.62
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs3
_chemical_formula_sum   'P1 Os3'
_cell_volume   55.03
_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  0.61  0.61  0.61  1.0
  Os  Os1  1  0.88  0.51  0.51  1.0
  Os  Os2  1  0.93  0.07  0.49  1.0
  Os  Os3  1  0.93  0.8  0.23  1.0

P Os Os Os