data_[K2Tl10F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9051]
_cell_length_b [11.9593]
_cell_length_c [6.8817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KTl5F6]
_chemical_formula_sum '[K2 Tl10 F12]'
_cell_volume [536.8022]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.1659  0.5000  1
  Tl  Tl2  4  0.0000  0.3309  0.0000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  F  F4  8  0.2360  0.1606  0.2343  1
  F  F5  4  0.2280  0.0000  0.7361  1
]