data_POs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs3
_chemical_formula_sum   'P2 Os6'
_cell_volume   117.62
_cell_formula_units_Z   2
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  P6  1  0.39  0.94  0.21  1.0
  P  P7  1  0.39  0.06  0.07  1.0
  Os  Os0  1  0.39  0.2  0.21  1.0
  Os  Os1  1  0.39  0.8  0.07  1.0
  Os  Os2  1  0.36  0.62  0.21  1.0
  Os  Os3  1  0.42  0.38  0.07  1.0
  Os  Os4  1  0.36  0.38  0.07  1.0
  Os  Os5  1  0.42  0.62  0.21  1.0

data_POs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.29
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   100.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   POs3
_chemical_formula_sum   'P2 Os6'
_cell_volume   117.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.07  -0.0  0.94  1.0
  Os  Os1  2  0.07  -0.0  0.2  1.0
  Os  Os2  2  0.07  0.97  0.62  1.0
  Os  Os3  2  0.07  0.03  0.62  1.0

P P Os Os Os Os Os Os
P P Os Os Os Os Os Os 0 1 o + o 0 3 o o o 1 2 o o o 2 6 o o o 2 5 o o o 3 7 o o o 3 4 o o o 4 7 o o o 5 6 o o o 