data_[K4Zn2Cu4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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/m]
_cell_length_a [13.4373]
_cell_length_b [7.4984]
_cell_length_c [7.5995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Zn(CuBr3)2]
_chemical_formula_sum '[K4 Zn2 Cu4 Br12]'
_cell_volume [653.8845]
_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
[
  K  K0  4  0.2361  0.5000  0.2094  1.0
  Zn  Zn1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0555  0.0000  0.2120  1.0
  Br  Br3  8  0.0488  0.2600  0.7874  1.0
  Br  Br4  4  0.2397  0.5000  0.6471  1.0
]