data_[Nb2V4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [12.8496]
_cell_length_b [5.0295]
_cell_length_c [9.3722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb(VTe3)2]
_chemical_formula_sum '[Nb2 V4 Te12]'
_cell_volume [535.3377]
_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  2  0.0000  0.0000  0.5000  1
  V  V1  4  0.1591  0.0000  0.0837  1
  Te  Te2  4  0.0238  0.0000  0.2233  1
  Te  Te3  4  0.1427  0.5000  0.6204  1
  Te  Te4  4  0.1950  0.5000  0.0609  1
]