data_[Sb2Pd16Pb4]
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 [15.0080]
_cell_length_b [4.3399]
_cell_length_c [6.2079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb(Pd4Pb)2]
_chemical_formula_sum '[Sb2 Pd16 Pb4]'
_cell_volume [389.9756]
_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
[
  Sb  Sb0  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.0291  0.0000  0.7518  1.0
  Pd  Pd2  4  0.0863  0.5000  0.4441  1.0
  Pd  Pd3  4  0.1583  0.0000  0.2087  1.0
  Pd  Pd4  4  0.1660  0.5000  0.9204  1.0
  Pb  Pb5  4  0.2037  0.0000  0.6669  1.0
]