data_[Zn8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2974]
_cell_length_b [3.5205]
_cell_length_c [7.6189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2Br]
_chemical_formula_sum '[Zn8 Br4]'
_cell_volume [307.4541]
_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  0.1841  0.0000  0.8697  1
  Zn  Zn1  4  0.2116  0.5000  0.3634  1
  Br  Br2  4  0.0126  0.5000  0.7584  1
]