data_[Nd9Cd3Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3036]
_cell_length_b [5.3036]
_cell_length_c [26.0805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3CdCu8]
_chemical_formula_sum '[Nd9 Cd3 Cu24]'
_cell_volume [635.3080]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0056  1.0
  Nd  Nd1  3  0.0000  0.0000  0.4957  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6210  1.0
  Cd  Cd3  3  0.0000  0.0000  0.1281  1.0
  Cu  Cu4  9  0.1678  0.3356  0.8946  1.0
  Cu  Cu5  9  0.1705  0.3409  0.3969  1.0
  Cu  Cu6  3  0.0000  0.0000  0.3135  1.0
  Cu  Cu7  3  0.0000  0.0000  0.8114  1.0
]