data_CdFe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Ir
_chemical_formula_sum   'Cd1 Fe2 Ir1'
_cell_volume   58.02
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.38  0.89  0.39  1.0
  Fe  Fe2  1  0.38  0.11  0.39  1.0
  Ir  Ir3  1  0.76  0.0  0.0  1.0

data_CdFe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   107.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Ir
_chemical_formula_sum   'Cd1 Fe2 Ir1'
_cell_volume   58.02
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.39  0.38  0.89  1.0
  Fe  Fe2  1  0.39  0.38  0.11  1.0
  Ir  Ir3  1  0.0  0.76  0.0  1.0

Cd Fe Fe Ir