data_[Ca9Cd3Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4444]
_cell_length_b [5.4444]
_cell_length_c [26.5508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3CdPd8]
_chemical_formula_sum '[Ca9 Cd3 Pd24]'
_cell_volume [681.5732]
_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  0.3758  1.0
  Ca  Ca1  3  0.0000  0.0000  0.5041  1.0
  Ca  Ca2  3  0.0000  0.0000  0.9952  1.0
  Cd  Cd3  3  0.0000  0.0000  0.8738  1.0
  Pd  Pd4  9  0.0015  0.5007  0.4381  1.0
  Pd  Pd5  9  0.1667  0.3334  0.2705  1.0
  Pd  Pd6  3  0.0000  0.0000  0.1878  1.0
  Pd  Pd7  3  0.0000  0.0000  0.6875  1.0
]