data_[K4Tl4In4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5627]
_cell_length_b [4.5232]
_cell_length_c [9.1454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTlInF3]
_chemical_formula_sum '[K4 Tl4 In4 F12]'
_cell_volume [509.5809]
_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  0.1490  0.5000  0.5133  1.0
  Tl  Tl1  4  0.1628  0.5000  0.1151  1.0
  In  In2  4  0.0484  0.0000  0.8192  1.0
  F  F3  4  0.0187  0.5000  0.7246  1.0
  F  F4  4  0.1298  0.0000  0.2950  1.0
  F  F5  4  0.1708  0.0000  0.6589  1.0
]