data_Si3PPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.71
_cell_length_b   3.4
_cell_length_c   11.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3PPt3
_chemical_formula_sum   'Si12 P4 Pt12'
_cell_volume   449.95
_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
  Si  Si16  1  0.19  0.55  0.76  1.0
  Si  Si17  1  0.66  0.85  0.42  1.0
  Si  Si18  1  0.52  0.85  0.55  1.0
  Si  Si19  1  0.05  0.55  0.89  1.0
  Si  Si20  1  0.64  0.55  0.37  1.0
  Si  Si21  1  0.22  0.85  0.71  1.0
  Si  Si22  1  0.07  0.85  0.95  1.0
  Si  Si23  1  0.49  0.55  0.61  1.0
  Si  Si24  1  0.33  0.55  0.98  1.0
  Si  Si25  1  0.53  0.85  0.33  1.0
  Si  Si26  1  0.38  0.85  0.33  1.0
  Si  Si27  1  0.19  0.55  0.99  1.0
  P  P0  1  0.42  0.55  0.98  1.0
  P  P1  1  0.43  0.85  0.32  1.0
  P  P2  1  0.29  0.85  0.33  1.0
  P  P3  1  0.28  0.55  0.99  1.0
  Pt  Pt4  1  0.6  0.55  0.64  1.0
  Pt  Pt5  1  0.97  0.85  0.3  1.0
  Pt  Pt6  1  0.11  0.85  0.67  1.0
  Pt  Pt7  1  0.74  0.55  0.02  1.0
  Pt  Pt8  1  0.42  0.55  0.4  1.0
  Pt  Pt9  1  0.44  0.85  0.06  1.0
  Pt  Pt10  1  0.29  0.85  0.92  1.0
  Pt  Pt11  1  0.27  0.55  0.26  1.0
  Pt  Pt12  1  0.43  0.55  0.01  1.0
  Pt  Pt13  1  0.42  0.85  0.67  1.0
  Pt  Pt14  1  0.28  0.85  0.31  1.0
  Pt  Pt15  1  0.29  0.55  0.65  1.0

data_Si3PPt3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.4
_cell_length_b   11.32
_cell_length_c   11.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Si3PPt3
_chemical_formula_sum   'Si12 P4 Pt12'
_cell_volume   449.95
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.35  0.21  0.28  1.0
  Si  Si1  2  0.35  0.45  0.14  1.0
  Si  Si2  2  0.35  0.61  0.84  1.0
  Si  Si3  2  0.35  0.74  0.69  1.0
  Si  Si4  2  0.35  0.83  0.97  1.0
  Si  Si5  2  0.35  0.83  0.83  1.0
  P  P6  2  0.35  0.82  0.07  1.0
  P  P7  2  0.35  0.83  0.92  1.0
  Pt  Pt8  2  0.35  0.1  0.92  1.0
  Pt  Pt9  2  0.35  0.24  0.06  1.0
  Pt  Pt10  2  0.35  0.48  0.24  1.0
  Pt  Pt11  2  0.35  0.49  0.93  1.0
  Pt  Pt12  2  0.35  0.85  0.08  1.0
  Pt  Pt13  2  0.35  0.86  0.39  1.0

Si Si Si Si Si Si Si Si Si Si Si Si P P P P Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt