data_[Tl12V3]
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
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.7179]
_cell_length_b [9.7179]
_cell_length_c [19.4972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Tl4V]
_chemical_formula_sum '[Tl12 V3]'
_cell_volume [1594.5679]
_cell_formula_units_Z [3]
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  6  0.1761  0.3522  0.5229  1
  Tl  Tl1  3  0.0000  0.5000  0.4219  1
  Tl  Tl2  2  0.3333  0.6667  0.6205  1
  Tl  Tl3  1  0.0000  0.0000  0.3899  1
  V  V4  2  0.3333  0.6667  0.4655  1
  V  V5  1  0.0000  0.0000  0.5351  1
]