data_[Bi2Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8032]
_cell_length_b [8.0338]
_cell_length_c [10.7507]
_cell_angle_alpha [97.6091]
_cell_angle_beta [97.6901]
_cell_angle_gamma [113.1937]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiBr7]
_chemical_formula_sum '[Bi2 Br14]'
_cell_volume [601.1020]
_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  0.1846  0.9777  0.7474  1
  Br  Br1  2  0.0561  0.2704  0.0468  1
  Br  Br2  2  0.0597  0.8420  0.2011  1
  Br  Br3  2  0.1671  0.3808  0.2888  1
  Br  Br4  2  0.2656  0.1621  0.5607  1
  Br  Br5  2  0.3442  0.7352  0.6240  1
  Br  Br6  2  0.4213  0.7321  0.8610  1
  Br  Br7  2  0.4797  0.7204  0.1024  1
]