data_[Os1Br2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.8078]
_cell_length_b [4.6594]
_cell_length_c [6.9880]
_cell_angle_alpha [73.0090]
_cell_angle_beta [74.8971]
_cell_angle_gamma [89.9783]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [OsBr2Cl]
_chemical_formula_sum '[Os1 Br2 Cl1]'
_cell_volume [114.0877]
_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  0.0223  0.0090  0.9792  1
  Br  Br1  1  0.3886  0.8920  0.2444  1
  Br  Br2  1  0.6424  0.1211  0.7264  1
  Cl  Cl3  1  0.9467  0.4778  0.0501  1
]