data_[Ba12Tl4Pd2]
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 [P2_1/c]
_cell_length_a [8.1669]
_cell_length_b [8.9949]
_cell_length_c [14.4118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6Tl2Pd]
_chemical_formula_sum '[Ba12 Tl4 Pd2]'
_cell_volume [871.7663]
_cell_formula_units_Z [2]
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  0.1208  0.6779  0.9397  1
  Ba  Ba1  4  0.2637  0.1905  0.9380  1
  Ba  Ba2  4  0.3695  0.5278  0.7491  1
  Tl  Tl3  4  0.2146  0.6029  0.2516  1
  Pd  Pd4  2  0.5000  0.0000  0.5000  1
]