data_Cd2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.56
_cell_length_c   2.92
_cell_angle_alpha   84.18
_cell_angle_beta   74.04
_cell_angle_gamma   21.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ir
_chemical_formula_sum   'Cd2 Ir1'
_cell_volume   55.43
_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
  Cd  Cd0  1  0.49  0.5  0.75  1.0
  Cd  Cd1  1  0.49  0.5  0.07  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0

data_Cd2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.99
_cell_length_b   14.82
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   120.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2Ir
_chemical_formula_sum   'Cd4 Ir2'
_cell_volume   110.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.07  0.0  0.56  1.0
  Cd  Cd1  2  0.25  0.5  0.24  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0

Cd Cd Ir