data_[La4Nd16Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.0184]
_cell_length_b [15.3726]
_cell_length_c [10.2000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LaNd4Cd]
_chemical_formula_sum '[La4 Nd16 Cd4]'
_cell_volume [786.8848]
_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
[
  La  La0  4  0.0000  0.1710  0.0557  1.0
  Nd  Nd1  4  0.0000  0.0041  0.8037  1.0
  Nd  Nd2  4  0.0000  0.1687  0.5487  1.0
  Nd  Nd3  4  0.0000  0.3302  0.8022  1.0
  Nd  Nd4  4  0.0000  0.4973  0.0540  1.0
  Cd  Cd5  4  0.0000  0.3348  0.3024  1.0
]