data_[V6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [17.2665]
_cell_length_b [29.9065]
_cell_length_c [8.4246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [VTe2]
_chemical_formula_sum '[V6 Te12]'
_cell_volume [4350.3017]
_cell_formula_units_Z [6]
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
[
  V  V0  4  0.0065  0.9950  0.3445  1
  V  V1  2  0.0000  0.0225  0.0000  1
  Te  Te2  4  0.0338  0.0730  0.2391  1
  Te  Te3  4  0.0598  0.9455  0.8814  1
  Te  Te4  4  0.1224  0.9744  0.5083  1
]