data_[Li2Nd4Si2]
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 [P2_1/m]
_cell_length_a [6.3767]
_cell_length_b [4.5144]
_cell_length_c [7.3372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNd2Si]
_chemical_formula_sum '[Li2 Nd4 Si2]'
_cell_volume [201.3170]
_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  0.4030  0.7500  0.3035  1
  Nd  Nd1  2  0.1445  0.2500  0.3966  1
  Nd  Nd2  2  0.2431  0.2500  0.9318  1
  Si  Si3  2  0.3666  0.7500  0.6893  1
]