data_[Cd4Bi8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [12.8461]
_cell_length_b [7.3002]
_cell_length_c [5.7262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CdBi2Pd3]
_chemical_formula_sum '[Cd4 Bi8 Pd12]'
_cell_volume [536.9950]
_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
[
  Cd  Cd0  4  0.0000  0.1583  0.2500  1.0
  Bi  Bi1  8  0.1635  0.3317  0.7500  1.0
  Pd  Pd2  8  0.1674  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0000  0.5000  0.0000  1.0
]