data_[Bi2H2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  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 [6.5740]
_cell_length_b [7.4024]
_cell_length_c [8.7956]
_cell_angle_alpha [88.5913]
_cell_angle_beta [86.0737]
_cell_angle_gamma [86.4922]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiHBr4]
_chemical_formula_sum '[Bi2 H2 Br8]'
_cell_volume [426.1285]
_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
[
  Bi  Bi0  2  0.0304  0.7547  0.3776  1
  H  H1  2  0.4349  0.2682  0.8457  1
  Br  Br2  2  0.2304  0.8996  0.6157  1
  Br  Br3  2  0.2341  0.3874  0.8660  1
  Br  Br4  2  0.2542  0.4189  0.3836  1
  Br  Br5  2  0.3044  0.8852  0.1524  1
]