data_SnPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   14.3
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPt3
_chemical_formula_sum   'Sn6 Pt18'
_cell_volume   404.71
_cell_formula_units_Z   6
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  Sn18  1  0.91  0.15  0.25  1.0
  Sn  Sn19  1  0.91  0.3  0.39  1.0
  Sn  Sn20  1  0.91  0.0  0.39  1.0
  Sn  Sn21  1  0.0  0.0  0.61  1.0
  Sn  Sn22  1  0.0  0.44  0.46  1.0
  Sn  Sn23  1  0.0  0.85  0.46  1.0
  Pt  Pt0  1  0.35  0.54  0.78  1.0
  Pt  Pt1  1  0.35  0.76  0.78  1.0
  Pt  Pt2  1  0.37  0.15  0.53  1.0
  Pt  Pt3  1  0.37  0.0  0.33  1.0
  Pt  Pt4  1  0.39  0.69  0.08  1.0
  Pt  Pt5  1  0.39  0.61  0.08  1.0
  Pt  Pt6  1  0.91  0.0  0.69  1.0
  Pt  Pt7  1  0.91  0.33  0.52  1.0
  Pt  Pt8  1  0.91  0.97  0.52  1.0
  Pt  Pt9  1  0.48  0.54  0.78  1.0
  Pt  Pt10  1  0.48  0.76  0.78  1.0
  Pt  Pt11  1  0.46  0.15  0.53  1.0
  Pt  Pt12  1  0.46  0.0  0.33  1.0
  Pt  Pt13  1  0.44  0.69  0.08  1.0
  Pt  Pt14  1  0.44  0.61  0.08  1.0
  Pt  Pt15  1  0.0  0.15  0.17  1.0
  Pt  Pt16  1  0.0  0.18  0.34  1.0
  Pt  Pt17  1  0.0  0.12  0.34  1.0

data_SnPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.86
_cell_length_b   5.83
_cell_length_c   14.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPt3
_chemical_formula_sum   'Sn6 Pt18'
_cell_volume   404.71
_cell_formula_units_Z   6
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  1  0.25  0.91  0.15  1.0
  Sn  Sn1  1  0.39  0.91  0.0  1.0
  Sn  Sn2  1  0.39  0.91  0.3  1.0
  Sn  Sn3  1  0.46  0.0  0.85  1.0
  Sn  Sn4  1  0.46  0.0  0.44  1.0
  Sn  Sn5  1  0.61  0.0  0.0  1.0
  Pt  Pt6  1  0.08  0.39  0.61  1.0
  Pt  Pt7  1  0.08  0.39  0.69  1.0
  Pt  Pt8  1  0.08  0.44  0.61  1.0
  Pt  Pt9  1  0.08  0.44  0.69  1.0
  Pt  Pt10  1  0.17  0.0  0.15  1.0
  Pt  Pt11  1  0.33  0.37  0.0  1.0
  Pt  Pt12  1  0.33  0.46  0.0  1.0
  Pt  Pt13  1  0.34  0.0  0.12  1.0
  Pt  Pt14  1  0.34  0.0  0.18  1.0
  Pt  Pt15  1  0.52  0.91  0.33  1.0
  Pt  Pt16  1  0.52  0.91  0.97  1.0
  Pt  Pt17  1  0.53  0.37  0.15  1.0
  Pt  Pt18  1  0.53  0.46  0.15  1.0
  Pt  Pt19  1  0.69  0.91  0.0  1.0
  Pt  Pt20  1  0.78  0.35  0.54  1.0
  Pt  Pt21  1  0.78  0.35  0.76  1.0
  Pt  Pt22  1  0.78  0.48  0.54  1.0
  Pt  Pt23  1  0.78  0.48  0.76  1.0

Sn Sn Sn Sn Sn Sn Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt