data_[K2Zn2I2Br4]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9530]
_cell_length_b [6.1601]
_cell_length_c [8.3902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZnIBr2]
_chemical_formula_sum '[K2 Zn2 I2 Br4]'
_cell_volume [400.9378]
_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  0.2780  0.2500  0.6633  1
  Zn  Zn1  2  0.0808  0.2500  0.1557  1
  I  I2  2  0.4088  0.2500  0.2639  1
  Br  Br3  2  0.0522  0.7500  0.1304  1
  Br  Br4  2  0.0953  0.7500  0.6466  1
]