data_[Zr2V4Te12]
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 [C2/m]
_cell_length_a [15.0976]
_cell_length_b [3.7357]
_cell_length_c [9.5140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr(VTe3)2]
_chemical_formula_sum '[Zr2 V4 Te12]'
_cell_volume [505.1960]
_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  2  0.0000  0.0000  0.5000  1
  V  V1  4  0.1520  0.5000  0.8120  1
  Te  Te2  4  0.0217  0.0000  0.8152  1
  Te  Te3  4  0.1507  0.5000  0.5280  1
  Te  Te4  4  0.2050  0.5000  0.1213  1
]