data_[K4In4Cl12]
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 [C2/m]
_cell_length_a [15.8328]
_cell_length_b [4.1001]
_cell_length_c [11.2454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KInCl3]
_chemical_formula_sum '[K4 In4 Cl12]'
_cell_volume [698.4875]
_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  0.2029  0.5000  0.3135  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.0408  0.0000  0.2282  1.0
  Cl  Cl4  4  0.1113  0.5000  0.0083  1.0
  Cl  Cl5  4  0.1548  0.5000  0.5662  1.0
]