data_Si2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2IrPb
_chemical_formula_sum   'Si2 Ir1 Pb1'
_cell_volume   71.6
_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  0.46  0.07  0.58  1.0
  Si  Si3  1  0.46  0.93  0.58  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.93  0.0  0.0  1.0

data_Si2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   105.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2IrPb
_chemical_formula_sum   'Si2 Ir1 Pb1'
_cell_volume   71.6
_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  0.58  0.46  0.93  1.0
  Si  Si1  1  0.58  0.46  0.07  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.93  0.0  1.0

Si Si Ir Pb