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 [C2/m]
_cell_length_a [17.2426]
_cell_length_b [5.2924]
_cell_length_c [7.1941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrSnPb3]
_chemical_formula_sum '[Sr4 Sn4 Pb12]'
_cell_volume [653.0954]
_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  0.1029  0.0000  0.3953  1
  Sn  Sn1  4  0.0211  0.5000  0.7130  1
  Pb  Pb2  4  0.0964  0.0000  0.8988  1
  Pb  Pb3  4  0.2008  0.5000  0.6554  1
  Pb  Pb4  4  0.2113  0.5000  0.1536  1
]