data_[Ce3Hf1Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1226]
_cell_length_b [4.1226]
_cell_length_c [16.5103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ce3HfPd12]
_chemical_formula_sum '[Ce3 Hf1 Pd12]'
_cell_volume [280.5992]
_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  2  0.0000  0.0000  0.2464  1
  Ce  Ce1  1  0.0000  0.0000  0.5000  1
  Hf  Hf2  1  0.0000  0.0000  0.0000  1
  Pd  Pd3  4  0.0000  0.5000  0.1170  1
  Pd  Pd4  4  0.0000  0.5000  0.3725  1
  Pd  Pd5  2  0.5000  0.5000  0.2443  1
  Pd  Pd6  1  0.5000  0.5000  0.0000  1
  Pd  Pd7  1  0.5000  0.5000  0.5000  1
]