data_[Os2Se4Br24]
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 [C2/m]
_cell_length_a [14.6783]
_cell_length_b [11.9484]
_cell_length_c [7.0721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Os(SeBr6)2]
_chemical_formula_sum '[Os2 Se4 Br24]'
_cell_volume [1148.3307]
_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  0.0000  0.0000  0.0000  1.0
  Se  Se1  4  0.2284  0.5000  0.7391  1.0
  Br  Br2  8  0.1023  0.1450  0.2408  1.0
  Br  Br3  8  0.1378  0.3466  0.8018  1.0
  Br  Br4  4  0.1240  0.0000  0.8366  1.0
  Br  Br5  4  0.1597  0.5000  0.3710  1.0
]