data_[Os6Br6]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.4228]
_cell_length_b [8.8008]
_cell_length_c [4.8327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [OsBr]
_chemical_formula_sum '[Os6 Br6]'
_cell_volume [400.7651]
_cell_formula_units_Z [6]
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  4  0.2070  0.0057  0.3494  1
  Os  Os1  2  0.0000  0.8776  0.4435  1
  Br  Br2  4  0.1885  0.2357  0.6298  1
  Br  Br3  2  0.0000  0.6201  0.6001  1
]