data_[Ba16Tl24Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.5946]
_cell_length_b [10.3814]
_cell_length_c [18.0244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2Tl3Pd]
_chemical_formula_sum '[Ba16 Tl24 Pd8]'
_cell_volume [1608.2176]
_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  8  0.2447  0.0000  0.0000  1
  Ba  Ba1  8  0.2500  0.2500  0.2500  1
  Tl  Tl2  16  0.0000  0.2325  0.4119  1
  Tl  Tl3  8  0.0000  0.0000  0.1762  1
  Pd  Pd4  8  0.0000  0.0000  0.3319  1
]