data_[K2Tm2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4745]
_cell_length_b [6.7077]
_cell_length_c [11.2910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KTmTl2F6]
_chemical_formula_sum '[K2 Tm2 Tl4 F12]'
_cell_volume [403.6719]
_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  1.0
  Tm  Tm1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2624  0.5392  0.7531  1.0
  F  F3  4  0.1271  0.5404  0.2214  1.0
  F  F4  4  0.2244  0.2337  0.0562  1.0
  F  F5  4  0.3147  0.6724  0.0400  1.0
]