data_[V2Sb2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [14.0120]
_cell_length_b [3.8193]
_cell_length_c [18.7929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VSbTe4]
_chemical_formula_sum '[V2 Sb2 Te8]'
_cell_volume [1005.7371]
_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  0.3996  0.2500  0.4981  1
  Sb  Sb1  2  0.1332  0.7500  0.5080  1
  Te  Te2  2  0.0351  0.2500  0.6009  1
  Te  Te3  2  0.2443  0.2500  0.4135  1
  Te  Te4  2  0.3183  0.7500  0.5850  1
  Te  Te5  2  0.4626  0.7500  0.4034  1
]