data_[Na4Zn4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [13.6752]
_cell_length_b [13.0938]
_cell_length_c [7.4277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaZn(CuBr3)2]
_chemical_formula_sum '[Na4 Zn4 Cu8 Br24]'
_cell_volume [1235.8958]
_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
[
  Na  Na0  4  0.0000  0.1177  0.2500  1.0
  Zn  Zn1  4  0.0000  0.1921  0.7500  1.0
  Cu  Cu2  8  0.1792  0.4333  0.1948  1.0
  Br  Br3  8  0.1116  0.2590  0.0624  1.0
  Br  Br4  8  0.1199  0.0736  0.6648  1.0
  Br  Br5  8  0.1368  0.4274  0.4788  1.0
]