data_SiIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIr5
_chemical_formula_sum   'Si1 Ir5'
_cell_volume   85.56
_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  Si5  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.94  0.12  0.91  1.0
  Ir  Ir1  1  0.94  0.08  0.0  1.0
  Ir  Ir2  1  0.94  0.0  0.91  1.0
  Ir  Ir3  1  0.94  0.92  0.0  1.0
  Ir  Ir4  1  0.94  0.88  0.91  1.0

data_SiIr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.88
_cell_length_c   6.08
_cell_angle_alpha   108.61
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIr5
_chemical_formula_sum   'Si1 Ir5'
_cell_volume   85.56
_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
  Ir  Ir1  1  -0.0  0.92  0.86  1.0
  Ir  Ir2  1  0.0  0.08  0.02  1.0
  Ir  Ir3  1  0.91  0.0  0.94  1.0
  Ir  Ir4  1  0.91  0.12  0.06  1.0
  Ir  Ir5  1  0.91  0.88  0.82  1.0

Si Ir Ir Ir Ir Ir
Si Ir Ir Ir Ir Ir 0 4 - - o 0 3 - o - 1 2 o o + 2 3 o o - 3 4 o - + 4 5 o o - 