data_SiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt2
_chemical_formula_sum   'Si4 Pt8'
_cell_volume   227.02
_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  Si8  1  0.64  0.53  0.26  1.0
  Si  Si9  1  0.0  0.05  0.95  1.0
  Si  Si10  1  0.0  0.05  0.12  1.0
  Si  Si11  1  0.64  0.53  0.43  1.0
  Pt  Pt0  1  0.0  0.0  0.69  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.33  0.82  0.03  1.0
  Pt  Pt3  1  0.31  0.76  0.34  1.0
  Pt  Pt4  1  0.67  0.82  0.03  1.0
  Pt  Pt5  1  0.0  0.51  0.03  1.0
  Pt  Pt6  1  0.64  0.07  0.34  1.0
  Pt  Pt7  1  0.98  0.76  0.34  1.0

data_SiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt2
_chemical_formula_sum   'Si4 Pt8'
_cell_volume   227.02
_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  Si0  1  0.0  0.05  0.12  1.0
  Si  Si1  1  0.0  0.05  0.95  1.0
  Si  Si2  1  0.64  0.53  0.26  1.0
  Si  Si3  1  0.64  0.53  0.43  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.69  1.0
  Pt  Pt6  1  0.0  0.51  0.03  1.0
  Pt  Pt7  1  0.31  0.76  0.34  1.0
  Pt  Pt8  1  0.33  0.82  0.03  1.0
  Pt  Pt9  1  0.64  0.07  0.34  1.0
  Pt  Pt10  1  0.67  0.82  0.03  1.0
  Pt  Pt11  1  0.98  0.76  0.34  1.0

Si Si Si Si Pt Pt Pt Pt Pt Pt Pt Pt