data_[Li2Tl3V1F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-3m1]
_cell_length_a [5.9576]
_cell_length_b [5.9576]
_cell_length_c [7.5884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2Tl3VF9]
_chemical_formula_sum '[Li2 Tl3 V1 F9]'
_cell_volume [233.2480]
_cell_formula_units_Z [1]
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
[
  Li  Li0  2  0.3333  0.6667  0.8907  1.0
  Tl  Tl1  2  0.3333  0.6667  0.2945  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  V  V3  1  0.0000  0.0000  0.5000  1.0
  F  F4  6  0.1490  0.2980  0.6458  1.0
  F  F5  3  0.0000  0.5000  0.0000  1.0
]