data_[Hg4Os2Br16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3341]
_cell_length_b [7.7575]
_cell_length_c [7.0351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2OsBr8]
_chemical_formula_sum '[Hg4 Os2 Br16]'
_cell_volume [834.1540]
_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  4  0.1764  0.0000  0.6386  1
  Os  Os1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.0620  0.2235  0.7910  1
  Br  Br3  4  0.1395  0.0000  0.2010  1
  Br  Br4  4  0.1643  0.5000  0.4145  1
]