data_[K4In4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1843]
_cell_length_b [5.0550]
_cell_length_c [10.2744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KInF3]
_chemical_formula_sum '[K4 In4 F12]'
_cell_volume [346.9688]
_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  0.4788  0.6916  0.3628  1.0
  In  In1  4  0.0503  0.7040  0.9328  1.0
  F  F2  4  0.1123  0.0001  0.8104  1.0
  F  F3  4  0.1946  0.0193  0.1344  1.0
  F  F4  4  0.3710  0.6564  0.0526  1.0
]