data_[Ba9Sn3Pb24]
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 [R3m]
_cell_length_a [6.7514]
_cell_length_b [6.7514]
_cell_length_c [32.7117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3SnPb8]
_chemical_formula_sum '[Ba9 Sn3 Pb24]'
_cell_volume [1291.3007]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0110  1
  Ba  Ba1  3  0.0000  0.0000  0.4919  1
  Ba  Ba2  3  0.0000  0.0000  0.6239  1
  Sn  Sn3  3  0.0000  0.0000  0.1421  1
  Pb  Pb4  9  0.0016  0.5008  0.0605  1
  Pb  Pb5  9  0.1676  0.3352  0.8927  1
  Pb  Pb6  3  0.0000  0.0000  0.3125  1
  Pb  Pb7  3  0.0000  0.0000  0.8091  1
]