data_OsBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.23
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsBrCl2
_chemical_formula_sum   'Os1 Br1 Cl2'
_cell_volume   80.72
_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
  Os  Os3  1  0.52  0.61  0.98  1.0
  Br  Br0  1  0.0  0.0  0.59  1.0
  Cl  Cl1  1  0.52  0.61  0.19  1.0
  Cl  Cl2  1  0.0  0.0  0.61  1.0

data_OsBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.23
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsBrCl2
_chemical_formula_sum   'Os1 Br1 Cl2'
_cell_volume   80.72
_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
  Os  Os0  1  0.52  0.61  0.98  1.0
  Br  Br1  1  0.0  0.0  0.59  1.0
  Cl  Cl2  1  0.0  0.0  0.61  1.0
  Cl  Cl3  1  0.52  0.61  0.19  1.0

Os Br Cl Cl