data_Si2IrPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   137.68
_cell_angle_beta   137.68
_cell_angle_gamma   61.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2IrPt
_chemical_formula_sum   'Si2 Ir1 Pt1'
_cell_volume   56.65
_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  0.0  0.0  0.0  1.0
  Si  Si3  1  0.81  0.0  0.16  1.0
  Ir  Ir0  1  0.0  0.0  0.32  1.0
  Pt  Pt1  1  0.0  0.81  0.16  1.0

data_Si2IrPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   5.02
_cell_angle_alpha   111.16
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2IrPt
_chemical_formula_sum   'Si2 Ir1 Pt1'
_cell_volume   56.65
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.16  0.35  0.35  1.0
  Ir  Ir2  1  0.32  0.32  0.32  1.0
  Pt  Pt3  1  0.35  0.16  0.35  1.0

Si Si Ir Pt