data_[Sn6Pt14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6803]
_cell_length_b [3.9916]
_cell_length_c [5.6377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn3Pt7]
_chemical_formula_sum '[Sn6 Pt14]'
_cell_volume [347.5562]
_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  0.1882  0.0000  0.6278  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt2  4  0.0955  0.5000  0.8013  1.0
  Pt  Pt3  4  0.0963  0.5000  0.2975  1.0
  Pt  Pt4  4  0.2077  0.0000  0.1448  1.0
  Pt  Pt5  2  0.0000  0.0000  0.5000  1.0
]