data_[Y9Al24Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5740]
_cell_length_b [5.5740]
_cell_length_c [26.9963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Y3Al8Cd]
_chemical_formula_sum '[Y9 Al24 Cd3]'
_cell_volume [726.4005]
_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
[
  Y  Y0  3  0.0000  0.0000  0.0038  1.0
  Y  Y1  3  0.0000  0.0000  0.4965  1.0
  Y  Y2  3  0.0000  0.0000  0.6255  1.0
  Al  Al3  9  0.0021  0.5011  0.5630  1.0
  Al  Al4  9  0.1686  0.3372  0.3948  1.0
  Al  Al5  3  0.0000  0.0000  0.3122  1.0
  Al  Al6  3  0.0000  0.0000  0.8116  1.0
  Cd  Cd7  3  0.0000  0.0000  0.1271  1.0
]