data_[Al4Sn2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0410]
_cell_length_b [4.0841]
_cell_length_c [6.3232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2SnPd8]
_chemical_formula_sum '[Al4 Sn2 Pd16]'
_cell_volume [343.9948]
_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
[
  Al  Al0  4  0.2100  0.0000  0.6658  1.0
  Sn  Sn1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0380  0.0000  0.7363  1.0
  Pd  Pd3  4  0.1027  0.5000  0.4746  1.0
  Pd  Pd4  4  0.1656  0.0000  0.2431  1.0
  Pd  Pd5  4  0.1778  0.5000  0.9362  1.0
]