data_[Nd24Mg4Cd8]
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 [Immm]
_cell_length_a [10.2289]
_cell_length_b [10.5854]
_cell_length_c [10.6981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd6MgCd2]
_chemical_formula_sum '[Nd24 Mg4 Cd8]'
_cell_volume [1158.3668]
_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  0.0000  0.3222  0.2681  1.0
  Nd  Nd1  8  0.1809  0.0000  0.2662  1.0
  Nd  Nd2  8  0.1998  0.2537  0.0000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd5  4  0.0000  0.1343  0.5000  1.0
  Cd  Cd6  4  0.1411  0.5000  0.5000  1.0
]