data_[Ce2Al12Pd7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.9187]
_cell_length_b [9.9187]
_cell_length_c [4.2434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Ce2Al12Pd7]
_chemical_formula_sum '[Ce2 Al12 Pd7]'
_cell_volume [361.5415]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.0000  0.0000  0.5000  1
  Ce  Ce1  1  0.6667  0.3333  0.0000  1
  Al  Al2  3  0.0410  0.5031  0.0000  1
  Al  Al3  3  0.2115  0.4629  0.5000  1
  Al  Al4  3  0.2768  0.0932  0.0000  1
  Al  Al5  3  0.3863  0.3170  0.5000  1
  Pd  Pd6  3  0.1013  0.7880  0.0000  1
  Pd  Pd7  3  0.4267  0.0867  0.5000  1
  Pd  Pd8  1  0.3333  0.6667  0.0000  1
]