data_P3Os2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Os2
_chemical_formula_sum   'P3 Os2'
_cell_volume   73.08
_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  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.99  0.15  0.38  1.0
  P  P4  1  0.0  0.3  0.93  1.0
  Os  Os0  1  0.99  0.15  0.93  1.0
  Os  Os1  1  0.0  0.3  0.38  1.0

data_P3Os2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   6.9
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   P3Os2
_chemical_formula_sum   'P6 Os4'
_cell_volume   146.16
_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  0.0  1.0
  P  P1  2  0.16  0.0  0.38  1.0
  P  P2  2  0.3  0.0  0.93  1.0
  Os  Os3  2  0.16  0.0  0.93  1.0
  Os  Os4  2  0.3  0.0  0.38  1.0

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