data_[Tl8V4]
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 [P31m]
_cell_length_a [8.3442]
_cell_length_b [8.3442]
_cell_length_c [18.0061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tl2V]
_chemical_formula_sum '[Tl8 V4]'
_cell_volume [1085.7215]
_cell_formula_units_Z [4]
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  0.2063  0.7879  0.5612  1
  Tl  Tl1  2  0.3333  0.6667  0.3943  1
  V  V2  3  0.0000  0.1617  0.4350  1
  V  V3  1  0.0000  0.0000  0.5388  1
]