data_[Sn12Pd4Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.9355]
_cell_length_b [14.2884]
_cell_length_c [3.5534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sn3PdPt]
_chemical_formula_sum '[Sn12 Pd4 Pt4]'
_cell_volume [453.6789]
_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  8  0.1945  0.1076  0.5000  1
  Sn  Sn1  4  0.0000  0.3546  0.0000  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Pd  Pd3  2  0.0000  0.5000  0.5000  1
  Pt  Pt4  4  0.2500  0.2500  0.0000  1
]