data_[K4In8Sn4Br20]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5068]
_cell_length_b [19.1458]
_cell_length_c [16.8260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KIn2SnBr5]
_chemical_formula_sum '[K4 In8 Sn4 Br20]'
_cell_volume [1451.8603]
_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  0.4458  0.4383  1.0
  In  In1  4  0.0000  0.0645  0.6538  1.0
  In  In2  4  0.0000  0.1416  0.2568  1.0
  Sn  Sn3  4  0.0000  0.2457  0.0365  1.0
  Br  Br4  4  0.0000  0.0879  0.0703  1.0
  Br  Br5  4  0.0000  0.2461  0.6620  1.0
  Br  Br6  4  0.0000  0.2732  0.4175  1.0
  Br  Br7  4  0.0000  0.3986  0.0206  1.0
  Br  Br8  4  0.0000  0.4772  0.7683  1.0
]