data_[Ba6In18Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9362]
_cell_length_b [11.4723]
_cell_length_c [14.0908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3In9Pd2]
_chemical_formula_sum '[Ba6 In18 Pd4]'
_cell_volume [797.9634]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.3146  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  In  In2  8  0.0000  0.2786  0.1190  1.0
  In  In3  8  0.0000  0.3608  0.3344  1.0
  In  In4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.0000  0.2261  0.5000  1.0
]