data_[Sn12Ir3Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2903]
_cell_length_b [4.2903]
_cell_length_c [28.6236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sn4IrPt2]
_chemical_formula_sum '[Sn12 Ir3 Pt6]'
_cell_volume [456.2859]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1239  1.0
  Sn  Sn1  6  0.0000  0.0000  0.3002  1.0
  Ir  Ir2  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt3  6  0.0000  0.0000  0.4030  1.0
]