data_[Nd4Zn8Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0070]
_cell_length_b [4.4836]
_cell_length_c [7.9240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdZn2Cd3]
_chemical_formula_sum '[Nd4 Zn8 Cd12]'
_cell_volume [535.9809]
_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  4  0.1410  0.0000  0.0683  1.0
  Zn  Zn1  4  0.0154  0.5000  0.1636  1.0
  Zn  Zn2  4  0.2138  0.0000  0.7445  1.0
  Cd  Cd3  4  0.0441  0.0000  0.3807  1.0
  Cd  Cd4  4  0.1166  0.5000  0.7325  1.0
  Cd  Cd5  4  0.1856  0.5000  0.4479  1.0
]