data_[Sc16Ni4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1885]
_cell_length_b [12.5741]
_cell_length_c [4.8692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Ni2Pb]
_chemical_formula_sum '[Sc16 Ni4 Pb2]'
_cell_volume [486.2050]
_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
[
  Sc  Sc0  8  0.2050  0.1285  0.0780  1
  Sc  Sc1  4  0.0000  0.2503  0.5000  1
  Sc  Sc2  4  0.1026  0.5000  0.2988  1
  Ni  Ni3  4  0.0000  0.3084  0.0000  1
  Pb  Pb4  2  0.0000  0.0000  0.5000  1
]