data_[Zn4In8Br32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [19.2693]
_cell_length_b [8.9497]
_cell_length_c [13.1030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn(InBr4)2]
_chemical_formula_sum '[Zn4 In8 Br32]'
_cell_volume [1703.0019]
_cell_formula_units_Z [4]
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
[
  Zn  Zn0  4  0.0000  0.0108  0.7500  1
  In  In1  8  0.0821  0.2469  0.0346  1
  Br  Br2  8  0.0776  0.2118  0.7033  1
  Br  Br3  8  0.0843  0.2247  0.2315  1
  Br  Br4  8  0.1466  0.0090  0.0077  1
  Br  Br5  8  0.1590  0.4850  0.0604  1
]