data_[Li4Nd6Cd10]
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 [P4/mbm]
_cell_length_a [10.7820]
_cell_length_b [10.7820]
_cell_length_c [4.2067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2Nd3Cd5]
_chemical_formula_sum '[Li4 Nd6 Cd10]'
_cell_volume [489.0290]
_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  4  0.1133  0.6133  0.0000  1
  Nd  Nd1  4  0.1799  0.3201  0.0000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Cd  Cd3  8  0.0604  0.7797  0.5000  1
  Cd  Cd4  2  0.0000  0.5000  0.5000  1
]