data_Si2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.01
_cell_angle_alpha   97.35
_cell_angle_beta   97.35
_cell_angle_gamma   51.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Ir
_chemical_formula_sum   'Si4 Ir2'
_cell_volume   91.63
_cell_formula_units_Z   2
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  0.88  0.0  0.14  1.0
  Si  Si3  1  0.94  0.0  0.59  1.0
  Si  Si4  1  0.56  0.0  0.53  1.0
  Si  Si5  1  0.89  0.0  0.01  1.0
  Ir  Ir0  1  0.41  0.0  0.62  1.0
  Ir  Ir1  1  0.3  0.0  0.97  1.0

data_Si2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.45
_cell_length_c   6.01
_cell_angle_alpha   97.35
_cell_angle_beta   90.0
_cell_angle_gamma   115.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2Ir
_chemical_formula_sum   'Si4 Ir2'
_cell_volume   91.63
_cell_formula_units_Z   2
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  0.06  0.41  1.0
  Si  Si1  1  0.0  0.11  0.99  1.0
  Si  Si2  1  0.0  0.12  0.86  1.0
  Si  Si3  1  0.0  0.44  0.47  1.0
  Ir  Ir4  1  0.0  0.59  0.38  1.0
  Ir  Ir5  1  0.0  0.7  0.03  1.0

Si Si Si Si Ir Ir