data_[Tl10V4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [13.8657]
_cell_length_b [6.4038]
_cell_length_c [8.3862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5V2F12]
_chemical_formula_sum '[Tl10 V4 F24]'
_cell_volume [740.1082]
_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
[
  Tl  Tl0  4  0.2030  0.5000  0.3490  1.0
  Tl  Tl1  4  0.2148  0.5000  0.8012  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  V  V3  4  0.0000  0.2491  0.0000  1.0
  F  F4  8  0.1341  0.2353  0.5387  1.0
  F  F5  8  0.1387  0.2512  0.0202  1.0
  F  F6  4  0.0006  0.5000  0.8481  1.0
  F  F7  4  0.0029  0.0000  0.1539  1.0
]