data_[Zn4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4039]
_cell_length_b [15.3995]
_cell_length_c [6.3579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zn(CuBr3)2]
_chemical_formula_sum '[Zn4 Cu8 Br24]'
_cell_volume [1140.1990]
_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  0.2038  0.7500  1.0
  Cu  Cu1  8  0.2115  0.4153  0.0908  1.0
  Br  Br2  8  0.1166  0.1114  0.5966  1.0
  Br  Br3  8  0.1169  0.2782  0.0885  1.0
  Br  Br4  8  0.1543  0.4478  0.7074  1.0
]