data_[Sr4Sn4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.2113]
_cell_length_b [6.2113]
_cell_length_c [21.4689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [SrSnPb3]
_chemical_formula_sum '[Sr4 Sn4 Pb12]'
_cell_volume [828.2853]
_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  0.0000  0.0000  0.3082  1
  Sn  Sn1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  2  0.0000  0.5000  0.2500  1
  Pb  Pb3  8  0.0000  0.2497  0.1251  1
  Pb  Pb4  4  0.0000  0.5000  0.5912  1
]