data_[K2Tl2V2F12]
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
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.1359]
_cell_length_b [5.9878]
_cell_length_c [4.8382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTlVF6]
_chemical_formula_sum '[K2 Tl2 V2 F12]'
_cell_volume [293.6334]
_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  0.3323  0.0000  0.7424  1.0
  Tl  Tl1  2  0.0042  0.0000  0.1459  1.0
  V  V2  2  0.1674  0.5000  0.4443  1.0
  F  F3  4  0.0856  0.2711  0.6566  1.0
  F  F4  4  0.2481  0.2717  0.2317  1.0
  F  F5  2  0.0190  0.5000  0.2177  1.0
  F  F6  2  0.3150  0.5000  0.6710  1.0
]