data_[Nd6Mg6Cd16]
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 [4.9326]
_cell_length_b [9.8293]
_cell_length_c [14.3628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3Mg3Cd8]
_chemical_formula_sum '[Nd6 Mg6 Cd16]'
_cell_volume [696.3574]
_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
[
  Nd  Nd0  4  0.0000  0.0000  0.2094  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  Mg  Mg2  4  0.0000  0.1793  0.0000  1
  Mg  Mg3  2  0.0000  0.5000  0.5000  1
  Cd  Cd4  8  0.0000  0.2859  0.3616  1
  Cd  Cd5  8  0.0000  0.3592  0.1576  1
]