data_[Sr12Pd4Pb12]
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 [C2/m]
_cell_length_a [12.0208]
_cell_length_b [4.9126]
_cell_length_c [16.3627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3PdPb3]
_chemical_formula_sum '[Sr12 Pd4 Pb12]'
_cell_volume [912.0988]
_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  4  0.0306  0.5000  0.3859  1
  Sr  Sr1  4  0.0965  0.5000  0.9186  1
  Sr  Sr2  4  0.2412  0.5000  0.2386  1
  Pd  Pd3  4  0.2446  0.0000  0.3901  1
  Pb  Pb4  4  0.0337  0.0000  0.2400  1
  Pb  Pb5  4  0.1178  0.0000  0.0775  1
  Pb  Pb6  4  0.1493  0.0000  0.5373  1
]