data_[Sn2Pd2Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7700]
_cell_length_b [8.2630]
_cell_length_c [5.5839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnPdAu4]
_chemical_formula_sum '[Sn2 Pd2 Au8]'
_cell_volume [227.9580]
_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
[
  Sn  Sn0  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  8  0.2486  0.1786  0.7539  1.0
]