data_[Li2Nd2Ge2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  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 [8.8619]
_cell_length_b [4.2681]
_cell_length_c [9.6507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNdGeTe3]
_chemical_formula_sum '[Li2 Nd2 Ge2 Te6]'
_cell_volume [354.5359]
_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  0.0944  0.7500  0.5937  1
  Nd  Nd1  2  0.1861  0.7500  0.2366  1
  Ge  Ge2  2  0.3317  0.2500  0.8552  1
  Te  Te3  2  0.0976  0.7500  0.8828  1
  Te  Te4  2  0.2329  0.2500  0.4920  1
  Te  Te5  2  0.4294  0.2500  0.1571  1
]