data_[Li2V2Ge2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2_1/m]
_cell_length_a [6.7366]
_cell_length_b [4.0621]
_cell_length_c [11.2961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiVGeTe3]
_chemical_formula_sum '[Li2 V2 Ge2 Te6]'
_cell_volume [303.7342]
_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
[
  Li  Li0  2  0.0630  0.2500  0.6661  1
  V  V1  2  0.4613  0.7500  0.3698  1
  Ge  Ge2  2  0.3668  0.2500  0.0462  1
  Te  Te3  2  0.1700  0.7500  0.1428  1
  Te  Te4  2  0.2301  0.2500  0.4427  1
  Te  Te5  2  0.3562  0.7500  0.7432  1
]