data_[Ba8Ga20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.8657]
_cell_length_b [13.0696]
_cell_length_c [6.2121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba2Ga5Pd3]
_chemical_formula_sum '[Ba8 Ga20 Pd12]'
_cell_volume [882.1866]
_cell_formula_units_Z [4]
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  8  0.2312  0.3670  0.5000  1.0
  Ga  Ga1  8  0.0000  0.2212  0.2500  1.0
  Ga  Ga2  8  0.1460  0.1040  0.5000  1.0
  Ga  Ga3  4  0.0000  0.5000  0.2500  1.0
  Pd  Pd4  8  0.1035  0.3639  0.0000  1.0
  Pd  Pd5  4  0.0000  0.0000  0.2500  1.0
]