data_[Sc2Pd16Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9720]
_cell_length_b [4.1515]
_cell_length_c [6.5762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc(Pd4Pb)2]
_chemical_formula_sum '[Sc2 Pd16 Pb4]'
_cell_volume [385.8098]
_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  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.0379  0.0000  0.7302  1.0
  Pd  Pd2  4  0.0856  0.5000  0.4514  1.0
  Pd  Pd3  4  0.1351  0.0000  0.1864  1.0
  Pd  Pd4  4  0.1732  0.5000  0.9172  1.0
  Pb  Pb5  4  0.2140  0.0000  0.6612  1.0
]