data_[Li2Nd4Cd16]
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 [C2/m]
_cell_length_a [15.7692]
_cell_length_b [5.0123]
_cell_length_c [6.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(NdCd4)2]
_chemical_formula_sum '[Li2 Nd4 Cd16]'
_cell_volume [523.1078]
_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  0.0000  0.5000  0.0000  1
  Nd  Nd1  4  0.2143  0.0000  0.6640  1
  Cd  Cd2  4  0.0132  0.0000  0.7275  1
  Cd  Cd3  4  0.0903  0.5000  0.4212  1
  Cd  Cd4  4  0.1490  0.5000  0.8732  1
  Cd  Cd5  4  0.1499  0.0000  0.1335  1
]