data_[K4In8Pb4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5368]
_cell_length_b [19.2299]
_cell_length_c [16.7373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KIn2PbBr5]
_chemical_formula_sum '[K4 In8 Pb4 Br20]'
_cell_volume [1460.2048]
_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
[
  K  K0  4  0.0000  0.4472  0.4391  1
  In  In1  4  0.0000  0.0660  0.6561  1
  In  In2  4  0.0000  0.1395  0.2562  1
  Pb  Pb3  4  0.0000  0.2447  0.0345  1
  Br  Br4  4  0.0000  0.0867  0.0704  1
  Br  Br5  4  0.0000  0.2475  0.6622  1
  Br  Br6  4  0.0000  0.2763  0.4132  1
  Br  Br7  4  0.0000  0.4005  0.0240  1
  Br  Br8  4  0.0000  0.4768  0.7682  1
]