data_[Bi8Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.8276]
_cell_length_b [7.5283]
_cell_length_c [18.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Bi4Pd3]
_chemical_formula_sum '[Bi8 Pd6]'
_cell_volume [1067.5954]
_cell_formula_units_Z [2]
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
[
  Bi  Bi0  4  0.0112  0.2339  0.4139  1
  Bi  Bi1  2  0.0493  0.0000  0.5803  1
  Bi  Bi2  2  0.4785  0.0000  0.5859  1
  Pd  Pd3  4  0.2582  0.3171  0.5265  1
  Pd  Pd4  2  0.2841  0.0000  0.4521  1
]