data_[V4Ge4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1805]
_cell_length_b [5.4077]
_cell_length_c [8.3910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VGeTe4]
_chemical_formula_sum '[V4 Ge4 Te16]'
_cell_volume [811.1779]
_cell_formula_units_Z [4]
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  4  0.2155  0.0000  0.2970  1
  Ge  Ge1  4  0.1274  0.0000  0.6606  1
  Te  Te2  4  0.0686  0.0000  0.3428  1
  Te  Te3  4  0.1221  0.0000  0.0191  1
  Te  Te4  4  0.1469  0.5000  0.7900  1
  Te  Te5  4  0.2268  0.5000  0.3673  1
]