data_[Ge2Bi2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [16.6119]
_cell_length_b [4.1055]
_cell_length_c [18.6168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GeBiBr4]
_chemical_formula_sum '[Ge2 Bi2 Br8]'
_cell_volume [1269.6824]
_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
[
  Ge  Ge0  2  0.1036  0.7500  0.4832  1
  Bi  Bi1  2  0.3667  0.2500  0.4924  1
  Br  Br2  2  0.0324  0.2500  0.5846  1
  Br  Br3  2  0.1639  0.2500  0.4029  1
  Br  Br4  2  0.2795  0.7500  0.5718  1
  Br  Br5  2  0.4571  0.7500  0.4176  1
]