data_SiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   12.93
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt3
_chemical_formula_sum   'Si6 Pt18'
_cell_volume   370.43
_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
  Si  Si18  1  0.8  0.47  0.47  1.0
  Si  Si19  1  0.8  0.99  0.36  1.0
  Si  Si20  1  0.8  0.95  0.36  1.0
  Si  Si21  1  0.0  0.0  0.64  1.0
  Si  Si22  1  0.0  0.45  0.75  1.0
  Si  Si23  1  0.0  0.48  0.75  1.0
  Pt  Pt0  1  0.4  0.52  0.27  1.0
  Pt  Pt1  1  0.4  0.41  0.27  1.0
  Pt  Pt2  1  0.36  0.47  0.63  1.0
  Pt  Pt3  1  0.45  0.0  0.48  1.0
  Pt  Pt4  1  0.4  0.99  0.84  1.0
  Pt  Pt5  1  0.4  0.95  0.84  1.0
  Pt  Pt6  1  0.8  0.0  0.01  1.0
  Pt  Pt7  1  0.8  0.1  0.99  1.0
  Pt  Pt8  1  0.8  0.84  0.99  1.0
  Pt  Pt9  1  0.2  0.52  0.27  1.0
  Pt  Pt10  1  0.2  0.41  0.27  1.0
  Pt  Pt11  1  0.25  0.47  0.63  1.0
  Pt  Pt12  1  0.16  0.0  0.48  1.0
  Pt  Pt13  1  0.21  0.99  0.84  1.0
  Pt  Pt14  1  0.21  0.95  0.84  1.0
  Pt  Pt15  1  0.0  0.47  0.1  1.0
  Pt  Pt16  1  0.0  0.63  0.12  1.0
  Pt  Pt17  1  0.0  0.31  0.12  1.0

data_SiPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   5.6
_cell_length_c   12.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt3
_chemical_formula_sum   'Si6 Pt18'
_cell_volume   370.43
_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
  Si  Si0  1  0.36  0.8  0.95  1.0
  Si  Si1  1  0.36  0.8  0.99  1.0
  Si  Si2  1  0.47  0.8  0.47  1.0
  Si  Si3  1  0.64  0.0  0.0  1.0
  Si  Si4  1  0.75  -0.0  0.48  1.0
  Si  Si5  1  0.75  -0.0  0.45  1.0
  Pt  Pt6  1  0.01  0.8  0.0  1.0
  Pt  Pt7  1  0.1  -0.0  0.47  1.0
  Pt  Pt8  1  0.12  -0.0  0.31  1.0
  Pt  Pt9  1  0.12  -0.0  0.63  1.0
  Pt  Pt10  1  0.27  0.2  0.41  1.0
  Pt  Pt11  1  0.27  0.2  0.52  1.0
  Pt  Pt12  1  0.27  0.4  0.41  1.0
  Pt  Pt13  1  0.27  0.4  0.52  1.0
  Pt  Pt14  1  0.48  0.16  0.0  1.0
  Pt  Pt15  1  0.48  0.45  0.0  1.0
  Pt  Pt16  1  0.63  0.25  0.47  1.0
  Pt  Pt17  1  0.63  0.36  0.47  1.0
  Pt  Pt18  1  0.84  0.21  0.95  1.0
  Pt  Pt19  1  0.84  0.21  0.99  1.0
  Pt  Pt20  1  0.84  0.4  0.95  1.0
  Pt  Pt21  1  0.84  0.4  0.99  1.0
  Pt  Pt22  1  0.99  0.8  0.1  1.0
  Pt  Pt23  1  0.99  0.8  0.84  1.0

Si Si Si Si Si Si Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt
Si Si Si Si Si Si Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt 0 4 + o o 0 21 + o o 0 5 + o o 1 2 o o o 1 9 o + o 1 14 o o - 2 14 o o - 3 18 o o o 4 5 o o o 4 21 o o + 5 21 o o + 6 15 o o o 6 7 o o o 7 16 o o o 8 17 o o o 9 11 o - o 9 10 o - o 9 18 o o o 10 11 o o o 12 13 o o - 12 14 o - - 15 16 o o o 15 21 o o o 15 22 o o o 16 21 o o o 16 23 o o o 19 20 o o o 21 22 o o o 21 23 o o o 