data_[Cs8K4In4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.2961]
_cell_length_b [19.8997]
_cell_length_c [14.5540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2KInBr5]
_chemical_formula_sum '[Cs8 K4 In4 Br20]'
_cell_volume [1533.8535]
_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
[
  Cs  Cs0  4  0.0000  0.1119  0.6938  1.0
  Cs  Cs1  4  0.0000  0.1467  0.3193  1.0
  K  K2  4  0.0000  0.2094  0.0241  1.0
  In  In3  4  0.0000  0.4721  0.4519  1.0
  Br  Br4  4  0.0000  0.0363  0.0093  1.0
  Br  Br5  4  0.0000  0.2893  0.6651  1.0
  Br  Br6  4  0.0000  0.3330  0.3812  1.0
  Br  Br7  4  0.0000  0.3779  0.0050  1.0
  Br  Br8  4  0.0000  0.4868  0.7742  1.0
]