data_[Tl14V6]
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 [Cmm2]
_cell_length_a [4.9843]
_cell_length_b [12.7522]
_cell_length_c [20.4804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Tl7V3]
_chemical_formula_sum '[Tl14 V6]'
_cell_volume [1301.7317]
_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  0.0000  0.1167  0.4613  1
  Tl  Tl1  4  0.0000  0.1556  0.6225  1
  Tl  Tl2  4  0.0000  0.3452  0.3549  1
  Tl  Tl3  2  0.0000  0.5000  0.6154  1
  V  V4  4  0.0000  0.3220  0.5163  1
  V  V5  2  0.0000  0.5000  0.4745  1
]