data_[Li4Nd4Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.8081]
_cell_length_b [4.1969]
_cell_length_c [10.9300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiNdSi2]
_chemical_formula_sum '[Li4 Nd4 Si8]'
_cell_volume [312.3002]
_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  0.1343  0.2500  0.4430  1
  Nd  Nd1  4  0.1434  0.2500  0.1516  1
  Si  Si2  4  0.0308  0.2500  0.6647  1
  Si  Si3  4  0.1847  0.2500  0.8592  1
]