data_[Hg2Os2Br4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.3263]
_cell_length_b [10.2488]
_cell_length_c [6.9996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [HgOs(BrF3)2]
_chemical_formula_sum '[Hg2 Os2 Br4 F12]'
_cell_volume [453.8289]
_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
[
  Hg  Hg0  2  0.0000  0.5000  0.5000  1.0
  Os  Os1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  4  0.0000  0.2592  0.5000  1.0
  F  F3  8  0.2106  0.0000  0.1958  1.0
  F  F4  4  0.0000  0.1842  0.0000  1.0
]