data_[V2Te6]
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 [P2_1/m]
_cell_length_a [6.1588]
_cell_length_b [3.5868]
_cell_length_c [10.3783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VTe3]
_chemical_formula_sum '[V2 Te6]'
_cell_volume [219.6311]
_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
[
  V  V0  2  0.2436  0.7500  0.8267  1.0
  Te  Te1  2  0.0819  0.7500  0.3105  1.0
  Te  Te2  2  0.2919  0.2500  0.0350  1.0
  Te  Te3  2  0.3824  0.2500  0.6650  1.0
]