data_Si5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si5Ir
_chemical_formula_sum   'Si5 Ir1'
_cell_volume   93.62
_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  0.33  0.34  0.0  1.0
  Si  Si2  1  0.0  0.69  0.0  1.0
  Si  Si3  1  0.84  0.02  0.49  1.0
  Si  Si4  1  0.16  0.02  0.49  1.0
  Si  Si5  1  0.33  0.0  0.49  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0

data_Si5Ir
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.66
_cell_length_b   4.99
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Si5Ir
_chemical_formula_sum   'Si5 Ir1'
_cell_volume   93.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.69  1.0
  Si  Si1  1  0.16  0.5  0.02  1.0
  Si  Si2  1  0.33  0.0  0.34  1.0
  Si  Si3  1  0.33  0.5  0.0  1.0
  Si  Si4  1  0.84  0.5  0.02  1.0
  Ir  Ir5  1  0.0  0.0  0.0  1.0

Si Si Si Si Si Ir