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 [11.1788]
_cell_length_b [9.2950]
_cell_length_c [6.8997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbPdPb3]
_chemical_formula_sum '[Sb4 Pd4 Pb12]'
_cell_volume [575.1579]
_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  0.0470  0.0000  0.7640  1.0
  Pd  Pd1  4  0.2378  0.0000  0.6297  1.0
  Pb  Pb2  8  0.2200  0.2004  0.2400  1.0
  Pb  Pb3  4  0.0416  0.5000  0.8037  1.0
]