data_[Os2Se2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6139]
_cell_length_b [7.2155]
_cell_length_c [19.3293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [OsSeBr3]
_chemical_formula_sum '[Os2 Se2 Br6]'
_cell_volume [782.9750]
_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
[
  Os  Os0  2  0.3411  0.2437  0.5032  1
  Se  Se1  1  0.1032  0.0000  0.5480  1
  Se  Se2  1  0.1166  0.5000  0.5426  1
  Br  Br3  2  0.1676  0.2442  0.3867  1
  Br  Br4  2  0.5918  0.2456  0.6106  1
  Br  Br5  1  0.6434  0.5000  0.4550  1
  Br  Br6  1  0.6452  0.0000  0.4532  1
]