data_[Ba8Sn8Pb24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6086]
_cell_length_b [11.9084]
_cell_length_c [8.5875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaSnPb3]
_chemical_formula_sum '[Ba8 Sn8 Pb24]'
_cell_volume [1402.8092]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  4  0.0000  0.0351  0.2500  1.0
  Ba  Ba1  4  0.0000  0.3736  0.7500  1.0
  Sn  Sn2  8  0.1083  0.3314  0.2755  1.0
  Pb  Pb3  8  0.1619  0.1833  0.6073  1.0
  Pb  Pb4  8  0.1802  0.1678  0.0507  1.0
  Pb  Pb5  8  0.2076  0.4697  0.6009  1.0
]