data_[K2Cu4I2Br2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3359]
_cell_length_b [5.3298]
_cell_length_c [9.1808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCu2IBrCl]
_chemical_formula_sum '[K2 Cu4 I2 Br2 Cl2]'
_cell_volume [333.6376]
_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  2  0.1925  0.7500  0.8984  1
  Cu  Cu1  4  0.3958  0.0021  0.3520  1
  I  I2  2  0.2712  0.2500  0.5529  1
  Br  Br3  2  0.0870  0.7500  0.2121  1
  Cl  Cl4  2  0.4052  0.2500  0.1370  1
]