data_[Ba2Tl14Pd10]
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 [Imm2]
_cell_length_a [5.8187]
_cell_length_b [10.2986]
_cell_length_c [10.1211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaTl7Pd5]
_chemical_formula_sum '[Ba2 Tl14 Pd10]'
_cell_volume [606.5043]
_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  2  0.0000  0.0000  0.0065  1.0
  Tl  Tl1  4  0.0000  0.3023  0.4769  1.0
  Tl  Tl2  4  0.0000  0.3441  0.0186  1.0
  Tl  Tl3  2  0.0000  0.0000  0.3619  1.0
  Tl  Tl4  2  0.0000  0.0000  0.6733  1.0
  Tl  Tl5  2  0.0000  0.5000  0.7319  1.0
  Pd  Pd6  8  0.2454  0.2539  0.7408  1.0
  Pd  Pd7  2  0.0000  0.5000  0.2724  1.0
]