data_[K1In1I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.2316]
_cell_length_b [4.8912]
_cell_length_c [19.0824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KInI4]
_chemical_formula_sum '[K1 In1 I4]'
_cell_volume [768.3064]
_cell_formula_units_Z [1]
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  1  0.5831  0.0000  0.5072  1
  In  In1  1  0.0422  0.5000  0.4914  1
  I  I2  1  0.1725  0.0000  0.4185  1
  I  I3  1  0.3192  0.5000  0.5816  1
  I  I4  1  0.7782  0.5000  0.3937  1
  I  I5  1  0.8305  0.5000  0.6076  1
]