data_CdIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   129.85
_cell_angle_beta   129.85
_cell_angle_gamma   73.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIr
_chemical_formula_sum   'Cd2 Ir2'
_cell_volume   68.19
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.08  0.97  1.0
  Ir  Ir2  1  0.08  0.0  0.97  1.0
  Ir  Ir3  1  0.0  0.0  0.93  1.0

data_CdIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.91
_cell_angle_alpha   115.07
_cell_angle_beta   115.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIr
_chemical_formula_sum   'Cd2 Ir2'
_cell_volume   68.19
_cell_formula_units_Z   2
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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.88  0.97  0.88  1.0
  Ir  Ir2  1  0.93  0.93  0.93  1.0
  Ir  Ir3  1  0.97  0.88  0.88  1.0

Cd Cd Ir Ir