data_POs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.56
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   99.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs2Br
_chemical_formula_sum   'P1 Os2 Br1'
_cell_volume   70.43
_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  0.0  0.0  0.0  1.0
  Os  Os1  1  0.05  0.78  0.5  1.0
  Os  Os2  1  0.76  0.78  0.14  1.0
  Br  Br0  1  0.91  0.0  0.32  1.0

data_POs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.56
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   99.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs2Br
_chemical_formula_sum   'P1 Os2 Br1'
_cell_volume   70.43
_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  0.0  0.0  1.0
  Os  Os1  1  0.05  0.78  0.5  1.0
  Os  Os2  1  0.76  0.78  0.14  1.0
  Br  Br3  1  0.91  0.0  0.32  1.0

P Os Os Br