data_[Cd1Ga4Ir5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0479]
_cell_length_b [3.0479]
_cell_length_c [16.0163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CdGa4Ir5]
_chemical_formula_sum '[Cd1 Ga4 Ir5]'
_cell_volume [148.7870]
_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  0.0000  0.0000  0.0000  1
  Ga  Ga1  2  0.0000  0.0000  0.2081  1
  Ga  Ga2  2  0.0000  0.0000  0.4032  1
  Ir  Ir3  2  0.5000  0.5000  0.1233  1
  Ir  Ir4  2  0.5000  0.5000  0.3108  1
  Ir  Ir5  1  0.5000  0.5000  0.5000  1
]