data_[Ba9Bi3Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.7624]
_cell_length_b [5.7624]
_cell_length_c [27.5322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ba3BiPd8]
_chemical_formula_sum '[Ba9 Bi3 Pd24]'
_cell_volume [791.7174]
_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  0.0077  1.0
  Ba  Ba1  3  0.0000  0.0000  0.4952  1.0
  Ba  Ba2  3  0.0000  0.0000  0.6237  1.0
  Bi  Bi3  3  0.0000  0.0000  0.1391  1.0
  Pd  Pd4  9  0.0018  0.5009  0.5595  1.0
  Pd  Pd5  9  0.0021  0.5011  0.0620  1.0
  Pd  Pd6  3  0.0000  0.0000  0.3104  1.0
  Pd  Pd7  3  0.0000  0.0000  0.8095  1.0
]