data_P2OsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   7.51
_cell_angle_alpha   157.74
_cell_angle_beta   150.69
_cell_angle_gamma   37.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2OsBr
_chemical_formula_sum   'P2 Os1 Br1'
_cell_volume   78.29
_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  0.03  1.0
  P  P3  1  0.45  0.0  0.44  1.0
  Os  Os1  1  0.0  0.9  0.15  1.0
  Br  Br0  1  0.0  0.0  0.85  1.0

data_P2OsBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.8
_cell_length_c   7.51
_cell_angle_alpha   104.65
_cell_angle_beta   101.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2OsBr
_chemical_formula_sum   'P2 Os1 Br1'
_cell_volume   78.29
_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  0.01  0.56  0.01  1.0
  P  P1  1  0.97  0.97  0.97  1.0
  Os  Os2  1  0.85  0.75  0.75  1.0
  Br  Br3  1  0.15  0.15  0.15  1.0

P P Os Br
P P Os Br 0 3 o o - 0 1 o o o 0 2 o - o 