data_YIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   4.22
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YIr2
_chemical_formula_sum   'Y4 Ir8'
_cell_volume   215.79
_cell_formula_units_Z   4
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
  Y  Y8  1  0.69  0.06  0.93  1.0
  Y  Y9  1  0.19  0.17  0.49  1.0
  Y  Y10  1  0.56  0.06  0.4  1.0
  Y  Y11  1  0.06  0.17  0.96  1.0
  Ir  Ir0  1  0.74  0.06  0.3  1.0
  Ir  Ir1  1  0.6  0.06  0.06  1.0
  Ir  Ir2  1  0.28  0.17  0.61  1.0
  Ir  Ir3  1  0.13  0.17  0.74  1.0
  Ir  Ir4  1  0.62  0.06  0.14  1.0
  Ir  Ir5  1  0.47  0.06  0.27  1.0
  Ir  Ir6  1  0.16  0.17  0.83  1.0
  Ir  Ir7  1  0.01  0.17  0.58  1.0

data_YIr2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.22
_cell_length_b   5.75
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YIr2
_chemical_formula_sum   'Y4 Ir8'
_cell_volume   215.79
_cell_formula_units_Z   4
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
  Y  Y0  2  0.44  0.69  0.46  1.0
  Y  Y1  2  0.44  0.81  0.99  1.0
  Ir  Ir2  2  0.44  0.6  0.33  1.0
  Ir  Ir3  2  0.44  0.74  0.2  1.0
  Ir  Ir4  2  0.44  0.72  0.11  1.0
  Ir  Ir5  2  0.44  0.87  0.36  1.0

Y Y Y Y Ir Ir Ir Ir Ir Ir Ir Ir