data_[Ba8Tl1Pd1Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7495]
_cell_length_b [9.8979]
_cell_length_c [7.9923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8TlPdAu2]
_chemical_formula_sum '[Ba8 Tl1 Pd1 Au2]'
_cell_volume [612.9353]
_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  4  0.2283  0.2283  0.1722  1.0
  Ba  Ba1  2  0.2650  0.0000  0.6795  1.0
  Ba  Ba2  2  0.2765  0.5000  0.6598  1.0
  Tl  Tl3  1  0.0000  0.5000  0.0000  1.0
  Pd  Pd4  1  0.0000  0.0000  0.0000  1.0
  Au  Au5  2  0.5000  0.2456  0.5000  1.0
]