data_[Ba12Sr20Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.1281]
_cell_length_b [17.7952]
_cell_length_c [9.0525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ba3Sr5Pd2]
_chemical_formula_sum '[Ba12 Sr20 Pd8]'
_cell_volume [1953.7183]
_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  0.2467  0.3728  0.0000  1
  Ba  Ba1  4  0.0000  0.0000  0.2500  1
  Sr  Sr2  8  0.0000  0.2448  0.2500  1
  Sr  Sr3  8  0.2459  0.3749  0.5000  1
  Sr  Sr4  4  0.0000  0.5000  0.2500  1
  Pd  Pd5  8  0.0047  0.1316  0.0000  1
]