data_[Nd8Mg20Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.5760]
_cell_length_b [12.9376]
_cell_length_c [6.3175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd2Mg5Cd3]
_chemical_formula_sum '[Nd8 Mg20 Cd12]'
_cell_volume [1027.8728]
_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  8  0.1300  0.2564  0.5000  1
  Mg  Mg1  8  0.1141  0.1459  0.0000  1
  Mg  Mg2  8  0.2479  0.0000  0.2500  1
  Mg  Mg3  4  0.0000  0.5000  0.2500  1
  Cd  Cd4  8  0.1273  0.3567  0.0000  1
  Cd  Cd5  4  0.0000  0.0000  0.2500  1
]