data_[Sn8Pd10Au2]
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 [Immm]
_cell_length_a [3.6054]
_cell_length_b [8.7110]
_cell_length_c [12.6032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sn4Pd5Au]
_chemical_formula_sum '[Sn8 Pd10 Au2]'
_cell_volume [395.8289]
_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  4  0.0000  0.2577  0.0000  1.0
  Sn  Sn1  4  0.0000  0.5000  0.2414  1.0
  Pd  Pd2  8  0.0000  0.2156  0.3355  1.0
  Pd  Pd3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  2  0.0000  0.5000  0.5000  1.0
]