data_[Nb4Tl4V2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5688]
_cell_length_b [11.6400]
_cell_length_c [9.0056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2Tl2VTe6]
_chemical_formula_sum '[Nb4 Tl4 V2 Te12]'
_cell_volume [657.4792]
_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
[
  Nb  Nb0  4  0.0000  0.3058  0.5000  1
  Tl  Tl1  4  0.0000  0.1554  0.0000  1
  V  V2  2  0.0000  0.0000  0.5000  1
  Te  Te3  8  0.2440  0.6565  0.2891  1
  Te  Te4  4  0.2296  0.5000  0.6782  1
]