data_[K2Tl4In2F12]
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 [P2_1/c]
_cell_length_a [6.4168]
_cell_length_b [6.6672]
_cell_length_c [11.2095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KTl2InF6]
_chemical_formula_sum '[K2 Tl4 In2 F12]'
_cell_volume [393.7187]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.0000  1
  Tl  Tl1  4  0.2655  0.0399  0.2548  1
  In  In2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.1293  0.0433  0.7198  1
  F  F4  4  0.2345  0.7428  0.5584  1
  F  F5  4  0.3051  0.1773  0.5362  1
]