data_Cd2InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   135.34
_cell_angle_beta   135.34
_cell_angle_gamma   65.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InIr
_chemical_formula_sum   'Cd2 In1 Ir1'
_cell_volume   76.13
_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  0.05  0.27  1.0
  Cd  Cd1  1  0.05  0.0  0.27  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.54  1.0

data_Cd2InIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   122.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2InIr
_chemical_formula_sum   'Cd4 In2 Ir2'
_cell_volume   152.27
_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  4  0.48  0.48  0.22  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.54  1.0

Cd Cd In Ir