data_[Li1Nd2Cd3]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4098]
_cell_length_b [5.0955]
_cell_length_c [8.7987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiNd2Cd3]
_chemical_formula_sum '[Li1 Nd2 Cd3]'
_cell_volume [152.8738]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.3316  1.0
  Nd  Nd1  1  0.0000  0.0000  0.5041  1.0
  Nd  Nd2  1  0.0000  0.5000  0.9953  1.0
  Cd  Cd3  1  0.5000  0.0000  0.1760  1.0
  Cd  Cd4  1  0.5000  0.0000  0.8363  1.0
  Cd  Cd5  1  0.5000  0.5000  0.6567  1.0
]