data_[V2Ge2Te6]
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 [P-1]
_cell_length_a [6.8651]
_cell_length_b [6.8690]
_cell_length_c [8.2620]
_cell_angle_alpha [114.2715]
_cell_angle_beta [90.3417]
_cell_angle_gamma [119.0413]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VGeTe3]
_chemical_formula_sum '[V2 Ge2 Te6]'
_cell_volume [300.0118]
_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  0.3497  0.6522  0.0015  1.0
  Ge  Ge1  2  0.0588  0.1130  0.1666  1.0
  Te  Te2  2  0.0733  0.5260  0.2345  1.0
  Te  Te3  2  0.2798  0.1969  0.7434  1.0
  Te  Te4  2  0.4509  0.1519  0.2351  1.0
]