data_[Ba12Ga8Pd16]
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 [C2/c]
_cell_length_a [12.6508]
_cell_length_b [11.1572]
_cell_length_c [7.4752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3(GaPd2)2]
_chemical_formula_sum '[Ba12 Ga8 Pd16]'
_cell_volume [1025.4132]
_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  0.1345  0.1336  0.1114  1.0
  Ba  Ba1  4  0.0000  0.4045  0.7500  1.0
  Ga  Ga2  8  0.1756  0.3667  0.4487  1.0
  Pd  Pd3  8  0.1403  0.1825  0.6183  1.0
  Pd  Pd4  8  0.1973  0.4419  0.1372  1.0
]