data_[Nd16Sc2Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7125]
_cell_length_b [5.5575]
_cell_length_c [8.7582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8ScCd2]
_chemical_formula_sum '[Nd16 Sc2 Cd4]'
_cell_volume [707.2564]
_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  0.0647  0.0000  0.7303  1.0
  Nd  Nd1  4  0.0965  0.5000  0.4564  1.0
  Nd  Nd2  4  0.1383  0.0000  0.1909  1.0
  Nd  Nd3  4  0.1845  0.5000  0.9549  1.0
  Sc  Sc4  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd5  4  0.2284  0.0000  0.6241  1.0
]