data_[Ba6Tl8Pd8]
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 [Immm]
_cell_length_a [4.6150]
_cell_length_b [8.4078]
_cell_length_c [15.7619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3(TlPd)4]
_chemical_formula_sum '[Ba6 Tl8 Pd8]'
_cell_volume [611.5933]
_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  0.0000  0.0000  0.1239  1.0
  Ba  Ba1  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl2  8  0.0000  0.1956  0.3304  1.0
  Pd  Pd3  4  0.0000  0.3187  0.5000  1.0
  Pd  Pd4  4  0.0000  0.5000  0.2160  1.0
]