data_Si2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   2.9
_cell_angle_alpha   104.72
_cell_angle_beta   104.72
_cell_angle_gamma   106.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2IrPt
_chemical_formula_sum   'Si2 Ir1 Pt1'
_cell_volume   58.98
_cell_formula_units_Z   1
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  Si2  1  0.82  0.06  0.31  1.0
  Si  Si3  1  0.82  0.94  0.31  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.89  0.0  0.0  1.0

data_Si2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   106.78
_cell_angle_beta   104.72
_cell_angle_gamma   104.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2IrPt
_chemical_formula_sum   'Si2 Ir1 Pt1'
_cell_volume   58.98
_cell_formula_units_Z   1
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  0.31  0.82  0.06  1.0
  Si  Si1  1  0.31  0.82  0.94  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.89  0.0  1.0

Si Si Ir Pt
Si Si Ir Pt 0 1 o - o 2 3 - o o 