data_[K2Zn2In2Br8]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5408]
_cell_length_b [7.5536]
_cell_length_c [9.1205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZnInBr4]
_chemical_formula_sum '[K2 Zn2 In2 Br8]'
_cell_volume [493.7024]
_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  0.2237  0.2500  0.5557  1.0
  Zn  Zn1  2  0.2276  0.7500  0.2966  1.0
  In  In2  2  0.2591  0.2500  0.0693  1.0
  Br  Br3  4  0.0085  0.0010  0.2376  1.0
  Br  Br4  2  0.4016  0.7500  0.5703  1.0
  Br  Br5  2  0.4185  0.7500  0.1266  1.0
]