data_[Ba9Tl24Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.7079]
_cell_length_b [6.7079]
_cell_length_c [32.3466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3Tl8Pb]
_chemical_formula_sum '[Ba9 Tl24 Pb3]'
_cell_volume [1260.4585]
_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  0.0051  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4973  1.0
  Ba  Ba2  3  0.0000  0.0000  0.6211  1.0
  Tl  Tl3  9  0.1673  0.3345  0.3970  1.0
  Tl  Tl4  9  0.1682  0.3365  0.8956  1.0
  Tl  Tl5  3  0.0000  0.0000  0.3121  1.0
  Tl  Tl6  3  0.0000  0.0000  0.8138  1.0
  Pb  Pb7  3  0.0000  0.0000  0.1231  1.0
]