data_CeAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   4.33
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeAlIr
_chemical_formula_sum   'Ce4 Al4 Ir4'
_cell_volume   255.3
_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
  Ce  Ce4  1  0.23  0.25  0.5  1.0
  Ce  Ce5  1  0.82  0.25  0.61  1.0
  Ce  Ce6  1  0.36  0.08  0.6  1.0
  Ce  Ce7  1  0.94  0.08  0.72  1.0
  Al  Al0  1  0.6  0.08  0.5  1.0
  Al  Al1  1  0.19  0.08  0.6  1.0
  Al  Al2  1  0.98  0.25  0.61  1.0
  Al  Al3  1  0.57  0.25  0.71  1.0
  Ir  Ir8  1  0.17  0.08  0.93  1.0
  Ir  Ir9  1  0.59  0.08  0.17  1.0
  Ir  Ir10  1  0.59  0.25  0.04  1.0
  Ir  Ir11  1  0.0  0.25  0.28  1.0

data_CeAlIr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.33
_cell_length_b   7.17
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CeAlIr
_chemical_formula_sum   'Ce4 Al4 Ir4'
_cell_volume   255.3
_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
  Ce  Ce0  2  0.42  0.36  0.11  1.0
  Ce  Ce1  2  0.42  0.77  1.0  1.0
  Al  Al2  2  0.42  0.02  0.9  1.0
  Al  Al3  2  0.42  0.6  1.0  1.0
  Ir  Ir4  2  0.42  0.59  0.33  1.0
  Ir  Ir5  2  0.42  1.0  0.57  1.0

Ce Ce Ce Ce Al Al Al Al Ir Ir Ir Ir