data_[Li3Nd6Cd48]
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 [R3m]
_cell_length_a [10.0630]
_cell_length_b [10.0630]
_cell_length_c [14.9705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li(NdCd8)2]
_chemical_formula_sum '[Li3 Nd6 Cd48]'
_cell_volume [1312.8608]
_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  3  0.0000  0.0000  0.0887  1
  Nd  Nd1  3  0.0000  0.0000  0.3367  1
  Nd  Nd2  3  0.0000  0.0000  0.6672  1
  Cd  Cd3  18  0.0379  0.3700  0.6678  1
  Cd  Cd4  9  0.1699  0.3398  0.4789  1
  Cd  Cd5  9  0.1826  0.3652  0.1853  1
  Cd  Cd6  9  0.1835  0.3670  0.8381  1
  Cd  Cd7  3  0.0000  0.0000  0.8936  1
]