data_[Ba20Sr4Pd4]
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 [C2/c]
_cell_length_a [14.9564]
_cell_length_b [8.7730]
_cell_length_c [13.5981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba5SrPd]
_chemical_formula_sum '[Ba20 Sr4 Pd4]'
_cell_volume [1592.8910]
_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  0.1518  0.2663  0.5710  1
  Ba  Ba1  8  0.1673  0.2392  0.0886  1
  Ba  Ba2  4  0.0000  0.0046  0.7500  1
  Sr  Sr3  4  0.0000  0.4995  0.2500  1
  Pd  Pd4  4  0.0000  0.0000  0.0000  1
]