data_[Zn2B4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5320]
_cell_length_b [10.5668]
_cell_length_c [6.0104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn(BBr4)2]
_chemical_formula_sum '[Zn2 B4 Br16]'
_cell_volume [731.5333]
_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
[
  Zn  Zn0  2  0.0000  0.0000  0.0000  1
  B  B1  4  0.2045  0.0000  0.6512  1
  Br  Br2  8  0.1139  0.1555  0.7679  1
  Br  Br3  4  0.1327  0.5000  0.2314  1
  Br  Br4  4  0.2016  0.0000  0.3150  1
]