data_[Sb4Pd4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  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 [11.0770]
_cell_length_b [9.2116]
_cell_length_c [6.9035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbPdPb3]
_chemical_formula_sum '[Sb4 Pd4 Pb12]'
_cell_volume [568.2449]
_cell_formula_units_Z [4]
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
[
  Sb  Sb0  4  0.0456  0.0000  0.7649  1
  Pd  Pd1  4  0.2377  0.0000  0.6313  1
  Pb  Pb2  8  0.2198  0.2002  0.2394  1
  Pb  Pb3  4  0.0420  0.5000  0.8060  1
]