data_POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.12
_cell_angle_alpha   106.14
_cell_angle_beta   106.14
_cell_angle_gamma   28.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs
_chemical_formula_sum   'P3 Os3'
_cell_volume   81.03
_cell_formula_units_Z   3
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  0.1  0.0  0.44  1.0
  P  P4  1  0.64  0.0  0.46  1.0
  P  P5  1  0.5  0.0  0.81  1.0
  Os  Os0  1  0.76  0.0  0.77  1.0
  Os  Os1  1  0.29  0.0  0.22  1.0
  Os  Os2  1  0.87  0.0  0.12  1.0

data_POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.12
_cell_length_c   5.9
_cell_angle_alpha   106.14
_cell_angle_beta   104.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs
_chemical_formula_sum   'P3 Os3'
_cell_volume   81.03
_cell_formula_units_Z   3
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  0.44  0.1  1.0
  P  P1  1  0.0  0.46  0.64  1.0
  P  P2  1  0.0  0.81  0.5  1.0
  Os  Os3  1  0.0  0.12  0.87  1.0
  Os  Os4  1  0.0  0.22  0.29  1.0
  Os  Os5  1  0.0  0.77  0.76  1.0

P P P Os Os Os
P P P Os Os Os 0 5 - o o 0 4 o o o 1 3 o o o 1 4 o o o 2 3 o o o 3 5 o o + 