data_Si5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   137.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si5Ir
_chemical_formula_sum   'Si5 Ir1'
_cell_volume   85.06
_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  Si1  1  0.12  0.92  0.0  1.0
  Si  Si2  1  0.12  0.78  0.86  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Si  Si4  1  0.12  0.22  0.86  1.0
  Si  Si5  1  0.12  0.08  0.0  1.0
  Ir  Ir0  1  0.12  0.0  0.86  1.0

data_Si5Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.23
_cell_length_c   5.8
_cell_angle_alpha   111.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si5Ir
_chemical_formula_sum   'Si5 Ir1'
_cell_volume   85.06
_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  0.92  0.03  1.0
  Si  Si1  1  -0.0  0.08  0.2  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.86  0.22  0.33  1.0
  Si  Si4  1  0.86  0.78  0.9  1.0
  Ir  Ir5  1  0.86  0.0  0.12  1.0

Si Si Si Si Si Ir