data_[K1In1Cl3]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4403]
_cell_length_b [5.4498]
_cell_length_c [5.4726]
_cell_angle_alpha [88.2801]
_cell_angle_beta [89.0922]
_cell_angle_gamma [89.8931]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KInCl3]
_chemical_formula_sum '[K1 In1 Cl3]'
_cell_volume [162.1613]
_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  0.0186  0.0377  0.0869  1.0
  In  In1  1  0.4975  0.4977  0.4791  1.0
  Cl  Cl2  1  0.4887  0.4797  0.9678  1.0
  Cl  Cl3  1  0.4991  0.9945  0.4524  1.0
  Cl  Cl4  1  0.9961  0.5003  0.4539  1.0
]