data_[Zr4V2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9526]
_cell_length_b [7.3930]
_cell_length_c [11.4156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr2VTe6]
_chemical_formula_sum '[Zr4 V2 Te12]'
_cell_volume [480.9131]
_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
[
  Zr  Zr0  4  0.2812  0.1464  0.7465  1
  V  V1  2  0.5000  0.0000  0.5000  1
  Te  Te2  4  0.0870  0.0101  0.2392  1
  Te  Te3  4  0.2217  0.6726  0.0683  1
  Te  Te4  4  0.4191  0.1692  0.0707  1
]