data_[Ba2Tl6Pd3]
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 [P-62m]
_cell_length_a [8.6797]
_cell_length_b [8.6797]
_cell_length_c [4.9139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Ba2(Tl2Pd)3]
_chemical_formula_sum '[Ba2 Tl6 Pd3]'
_cell_volume [320.6005]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.0000  1.0
  Tl  Tl1  3  0.0000  0.2086  0.0000  1.0
  Tl  Tl2  3  0.0000  0.6915  0.5000  1.0
  Pd  Pd3  3  0.0000  0.3657  0.5000  1.0
]