data_[Li4Nd8Ge8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1697]
_cell_length_b [4.4178]
_cell_length_c [10.7199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(NdGe)2]
_chemical_formula_sum '[Li4 Nd8 Ge8]'
_cell_volume [465.1326]
_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
[
  Li  Li0  4  0.2270  0.5000  0.3674  1.0
  Nd  Nd1  4  0.0095  0.0000  0.3291  1.0
  Nd  Nd2  4  0.1892  0.0000  0.0996  1.0
  Ge  Ge3  4  0.0128  0.5000  0.8842  1.0
  Ge  Ge4  4  0.1332  0.5000  0.5731  1.0
]