data_[Ba6La6Pd45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5801]
_cell_length_b [9.5801]
_cell_length_c [14.2216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2La2Pd15]
_chemical_formula_sum '[Ba6 La6 Pd45]'
_cell_volume [1130.3641]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3612  1.0
  La  La1  6  0.0000  0.0000  0.1116  1.0
  Pd  Pd2  18  0.0000  0.2985  0.0000  1.0
  Pd  Pd3  18  0.0012  0.5006  0.1547  1.0
  Pd  Pd4  9  0.0000  0.5000  0.5000  1.0
]