data_[Ba1Bi4Pd6]
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 [P-6m2]
_cell_length_a [7.9313]
_cell_length_b [7.9313]
_cell_length_c [4.5785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba(Bi2Pd3)2]
_chemical_formula_sum '[Ba1 Bi4 Pd6]'
_cell_volume [249.4290]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  3  0.3839  0.1919  0.5000  1.0
  Bi  Bi2  1  0.3333  0.6667  0.0000  1.0
  Pd  Pd3  3  0.2089  0.4178  0.5000  1.0
  Pd  Pd4  3  0.5424  0.0848  0.0000  1.0
]