data_[Li16Nd8Cd20]
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 [Fmmm]
_cell_length_a [6.0959]
_cell_length_b [9.7439]
_cell_length_c [17.0264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Li4Nd2Cd5]
_chemical_formula_sum '[Li16 Nd8 Cd20]'
_cell_volume [1011.3229]
_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  16  0.0000  0.1511  0.3665  1
  Nd  Nd1  8  0.0000  0.0000  0.1239  1
  Cd  Cd2  8  0.2500  0.2500  0.0000  1
  Cd  Cd3  8  0.2500  0.2500  0.2500  1
  Cd  Cd4  4  0.0000  0.0000  0.5000  1
]