data_[Ba9In3Pd24]
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 [R3m]
_cell_length_a [5.6624]
_cell_length_b [5.6624]
_cell_length_c [27.7910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3InPd8]
_chemical_formula_sum '[Ba9 In3 Pd24]'
_cell_volume [771.6882]
_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  3  0.0000  0.0000  0.0040  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4975  1.0
  Ba  Ba2  3  0.0000  0.0000  0.6241  1.0
  In  In3  3  0.0000  0.0000  0.1273  1.0
  Pd  Pd4  9  0.0008  0.5004  0.0647  1.0
  Pd  Pd5  9  0.1688  0.3375  0.8930  1.0
  Pd  Pd6  3  0.0000  0.0000  0.3125  1.0
  Pd  Pd7  3  0.0000  0.0000  0.8116  1.0
]