data_[Nd12Al4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.3772]
_cell_length_b [20.0376]
_cell_length_c [5.3943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3AlCd]
_chemical_formula_sum '[Nd12 Al4 Cd4]'
_cell_volume [581.2166]
_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
[
  Nd  Nd0  4  0.0000  0.0601  0.2500  1
  Nd  Nd1  4  0.0000  0.2479  0.2500  1
  Nd  Nd2  4  0.0000  0.4333  0.2500  1
  Al  Al3  4  0.0000  0.1555  0.7500  1
  Cd  Cd4  4  0.0000  0.3445  0.7500  1
]