data_P2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   24.68
_cell_angle_beta   24.68
_cell_angle_gamma   24.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2OsSe
_chemical_formula_sum   'P2 Os1 Se1'
_cell_volume   63.86
_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  P1  1  0.0  0.0  0.48  1.0
  P  P2  1  0.0  0.0  0.23  1.0
  Os  Os0  1  0.0  0.0  0.85  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_P2OsSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   104.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   P2OsSe
_chemical_formula_sum   'P4 Os2 Se2'
_cell_volume   127.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.52  1.0
  P  P1  2  0.0  0.0  0.77  1.0
  Os  Os2  2  0.0  0.0  0.15  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

P P Os Se