data_[Bi4Pd20]
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 [Cmme]
_cell_length_a [5.7972]
_cell_length_b [8.0077]
_cell_length_c [8.8062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [BiPd5]
_chemical_formula_sum '[Bi4 Pd20]'
_cell_volume [408.8016]
_cell_formula_units_Z [4]
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  0.0000  0.2500  0.6768  1.0
  Pd  Pd1  8  0.2500  0.0000  0.1602  1.0
  Pd  Pd2  4  0.0000  0.2500  0.0063  1.0
  Pd  Pd3  4  0.0000  0.2500  0.3268  1.0
  Pd  Pd4  4  0.2500  0.0000  0.5000  1.0
]