data_[Zn2Cu2Br6]
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]
_cell_length_a [4.5289]
_cell_length_b [13.4738]
_cell_length_c [18.6450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ZnCuBr3]
_chemical_formula_sum '[Zn2 Cu2 Br6]'
_cell_volume [1137.7410]
_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  0.9179  0.5000  1
  Cu  Cu1  2  0.0000  0.2843  0.5000  1
  Br  Br2  4  0.2109  0.8244  0.5977  1
  Br  Br3  2  0.0000  0.0897  0.5000  1
]