data_[Bi6Pd26]
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 [Amm2]
_cell_length_a [8.3361]
_cell_length_b [8.0011]
_cell_length_c [8.2861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Bi3Pd13]
_chemical_formula_sum '[Bi6 Pd26]'
_cell_volume [552.6653]
_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  0.2678  0.0000  0.9785  1.0
  Bi  Bi1  2  0.0000  0.0000  0.3001  1.0
  Pd  Pd2  8  0.2526  0.2440  0.2466  1.0
  Pd  Pd3  4  0.0000  0.2297  0.0131  1.0
  Pd  Pd4  4  0.2533  0.0000  0.5074  1.0
  Pd  Pd5  4  0.5000  0.2406  0.4946  1.0
  Pd  Pd6  2  0.0000  0.0000  0.7411  1.0
  Pd  Pd7  2  0.5000  0.0000  0.2482  1.0
  Pd  Pd8  2  0.5000  0.0000  0.7369  1.0
]