data_[Hg2H2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8007]
_cell_length_b [7.7552]
_cell_length_c [7.9197]
_cell_angle_alpha [71.9297]
_cell_angle_beta [71.7357]
_cell_angle_gamma [77.8106]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgHBr3]
_chemical_formula_sum '[Hg2 H2 Br6]'
_cell_volume [374.0666]
_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  0.3180  0.9824  0.3453  1.0
  H  H1  2  0.1113  0.2300  0.8138  1.0
  Br  Br2  2  0.0743  0.7602  0.4056  1.0
  Br  Br3  2  0.2520  0.2727  0.8972  1.0
  Br  Br4  2  0.4502  0.7824  0.7294  1.0
]