data_[Ba6Bi18Pd12]
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 [R-3m]
_cell_length_a [8.1425]
_cell_length_b [8.1425]
_cell_length_c [19.1281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [BaBi3Pd2]
_chemical_formula_sum '[Ba6 Bi18 Pd12]'
_cell_volume [1098.2834]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.2218  1.0
  Bi  Bi1  18  0.0133  0.5066  0.2555  1.0
  Pd  Pd2  9  0.0000  0.5000  0.0000  1.0
  Pd  Pd3  3  0.0000  0.0000  0.0000  1.0
]