data_[Ba8In16Pd8]
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 [Pnma]
_cell_length_a [17.3639]
_cell_length_b [8.1010]
_cell_length_c [6.2404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaIn2Pd]
_chemical_formula_sum '[Ba8 In16 Pd8]'
_cell_volume [877.7989]
_cell_formula_units_Z [8]
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  0.1038  0.2500  0.7196  1
  Ba  Ba1  4  0.1362  0.7500  0.5318  1
  In  In2  8  0.0433  0.0583  0.2131  1
  In  In3  8  0.2122  0.5550  0.0331  1
  Pd  Pd4  4  0.0721  0.7500  0.0135  1
  Pd  Pd5  4  0.1848  0.2500  0.2519  1
]