data_POsBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   3.38
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   102.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POsBr2
_chemical_formula_sum   'P1 Os1 Br2'
_cell_volume   100.55
_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  P3  1  0.24  0.0  0.57  1.0
  Os  Os2  1  0.84  0.69  0.89  1.0
  Br  Br0  1  0.15  0.69  0.54  1.0
  Br  Br1  1  0.4  0.0  0.94  1.0

data_POsBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.07
_cell_length_c   7.48
_cell_angle_alpha   102.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POsBr2
_chemical_formula_sum   'P1 Os1 Br2'
_cell_volume   100.55
_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  0.0  0.76  0.43  1.0
  Os  Os1  1  0.31  0.16  0.11  1.0
  Br  Br2  1  0.0  0.6  0.06  1.0
  Br  Br3  1  0.31  0.85  0.46  1.0

P Os Br Br