data_[Ni2Pd6Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1263]
_cell_length_b [6.8855]
_cell_length_c [11.3762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ni(PdPb2)3]
_chemical_formula_sum '[Ni2 Pd6 Pb12]'
_cell_volume [471.8830]
_cell_formula_units_Z [2]
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
[
  Ni  Ni0  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  4  0.3107  0.6661  0.2766  1.0
  Pd  Pd2  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb3  4  0.0738  0.0074  0.2542  1.0
  Pb  Pb4  4  0.2277  0.1641  0.5854  1.0
  Pb  Pb5  4  0.3904  0.6488  0.5706  1.0
]