data_[Ba2Os2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2006]
_cell_length_b [3.9085]
_cell_length_c [5.6489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaOsBr2]
_chemical_formula_sum '[Ba2 Os2 Br4]'
_cell_volume [266.3108]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.2467  0.0000  0.2182  1
  Os  Os1  2  0.0562  0.5000  0.3910  1
  Br  Br2  2  0.2233  0.5000  0.7146  1
  Br  Br3  2  0.4739  0.5000  0.1762  1
]