data_[Os1Br2Cl3]
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 [Pm]
_cell_length_a [6.1935]
_cell_length_b [18.4026]
_cell_length_c [6.4095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [OsBr2Cl3]
_chemical_formula_sum '[Os1 Br2 Cl3]'
_cell_volume [672.2653]
_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  0.0949  0.5000  0.0603  1
  Br  Br1  2  0.3635  0.4076  0.2888  1
  Cl  Cl2  2  0.8071  0.4137  0.9483  1
  Cl  Cl3  1  0.1926  0.5000  0.7648  1
]