data_[Ca9Al24Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7091]
_cell_length_b [5.7091]
_cell_length_c [26.9197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3Al8Cd]
_chemical_formula_sum '[Ca9 Al24 Cd3]'
_cell_volume [759.8593]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.0027  1.0
  Ca  Ca1  3  0.0000  0.0000  0.4983  1.0
  Ca  Ca2  3  0.0000  0.0000  0.6243  1.0
  Al  Al3  9  0.0007  0.5003  0.5619  1.0
  Al  Al4  9  0.1667  0.3335  0.3962  1.0
  Al  Al5  3  0.0000  0.0000  0.3116  1.0
  Al  Al6  3  0.0000  0.0000  0.8128  1.0
  Cd  Cd7  3  0.0000  0.0000  0.1259  1.0
]