data_[Ce3Si6Ni1Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7270]
_cell_length_b [5.7270]
_cell_length_c [7.8998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce3Si6NiPd2]
_chemical_formula_sum '[Ce3 Si6 Ni1 Pd2]'
_cell_volume [224.3859]
_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  0.3333  0.6667  0.6389  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Si  Si2  6  0.1862  0.3723  0.3034  1
  Ni  Ni3  1  0.0000  0.0000  0.5000  1
  Pd  Pd4  2  0.3333  0.6667  0.0466  1
]