data_CdIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIr
_chemical_formula_sum   'Cd4 Ir4'
_cell_volume   150.67
_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
  Cd  Cd0  1  0.0  0.56  0.14  1.0
  Cd  Cd1  1  0.22  0.28  0.73  1.0
  Cd  Cd2  1  0.22  0.28  0.69  1.0
  Cd  Cd3  1  0.0  0.56  0.1  1.0
  Ir  Ir4  1  0.0  0.0  0.62  1.0
  Ir  Ir5  1  0.0  0.0  0.21  1.0
  Ir  Ir6  1  0.0  0.56  0.21  1.0
  Ir  Ir7  1  0.22  0.28  0.62  1.0

data_CdIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIr
_chemical_formula_sum   'Cd4 Ir4'
_cell_volume   150.67
_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
  Cd  Cd0  1  0.0  0.56  0.1  1.0
  Cd  Cd1  1  0.0  0.56  0.14  1.0
  Cd  Cd2  1  0.22  0.28  0.69  1.0
  Cd  Cd3  1  0.22  0.28  0.73  1.0
  Ir  Ir4  1  0.0  0.0  0.21  1.0
  Ir  Ir5  1  0.0  0.0  0.62  1.0
  Ir  Ir6  1  0.0  0.56  0.21  1.0
  Ir  Ir7  1  0.22  0.28  0.62  1.0

Cd Cd Cd Cd Ir Ir Ir Ir