data_[Sn4B4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3959]
_cell_length_b [14.9339]
_cell_length_c [5.7294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SnBPd4]
_chemical_formula_sum '[Sn4 B4 Pd16]'
_cell_volume [376.1190]
_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
[
  Sn  Sn0  4  0.0000  0.1265  0.3065  1.0
  B  B1  4  0.0000  0.4018  0.2682  1.0
  Pd  Pd2  4  0.0000  0.0914  0.7896  1.0
  Pd  Pd3  4  0.0000  0.2895  0.0622  1.0
  Pd  Pd4  4  0.0000  0.3257  0.5611  1.0
  Pd  Pd5  4  0.0000  0.4735  0.9459  1.0
]