data_[Sr2Ru8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.1649]
_cell_length_b [7.1649]
_cell_length_c [10.1889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Sr(Ru2Pb3)2]
_chemical_formula_sum '[Sr2 Ru8 Pb12]'
_cell_volume [523.0531]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Ru  Ru1  8  0.1582  0.1582  0.5798  1
  Pb  Pb2  8  0.1833  0.1833  0.2904  1
  Pb  Pb3  4  0.0000  0.5000  0.0000  1
]