data_[Li18Nd3Cd36]
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 [R-3m]
_cell_length_a [12.3527]
_cell_length_b [12.3527]
_cell_length_c [9.1397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li6NdCd12]
_chemical_formula_sum '[Li18 Nd3 Cd36]'
_cell_volume [1207.7776]
_cell_formula_units_Z [3]
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  18  0.0391  0.5196  0.2513  1
  Nd  Nd1  3  0.0000  0.0000  0.0000  1
  Cd  Cd2  18  0.0000  0.3820  0.5000  1
  Cd  Cd3  18  0.0835  0.1669  0.3230  1
]