data_[Nd4Mg1Cd3]
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 [Pmmm]
_cell_length_a [3.8842]
_cell_length_b [5.4402]
_cell_length_c [10.9013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Nd4MgCd3]
_chemical_formula_sum '[Nd4 Mg1 Cd3]'
_cell_volume [230.3524]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.2522  1
  Nd  Nd1  1  0.0000  0.0000  0.0000  1
  Nd  Nd2  1  0.0000  0.0000  0.5000  1
  Mg  Mg3  1  0.5000  0.5000  0.0000  1
  Cd  Cd4  2  0.5000  0.0000  0.2449  1
  Cd  Cd5  1  0.5000  0.5000  0.5000  1
]