data_[Sr12Pd8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.9614]
_cell_length_b [16.9262]
_cell_length_c [6.2458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr3Pd2Pb3]
_chemical_formula_sum '[Sr12 Pd8 Pb12]'
_cell_volume [947.3726]
_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
[
  Sr  Sr0  8  0.0357  0.6108  0.6146  1
  Sr  Sr1  4  0.1752  0.7500  0.1207  1
  Pd  Pd2  8  0.0984  0.1097  0.8844  1
  Pb  Pb3  8  0.1842  0.5372  0.1134  1
  Pb  Pb4  4  0.1727  0.2500  0.1118  1
]