data_[Zn2Cd4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4142]
_cell_length_b [3.1790]
_cell_length_c [4.6692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZnCd2Ir]
_chemical_formula_sum '[Zn2 Cd4 Ir2]'
_cell_volume [141.5194]
_cell_formula_units_Z [2]
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
[
  Zn  Zn0  2  0.2238  0.0000  0.7577  1
  Cd  Cd1  2  0.2690  0.5000  0.2967  1
  Cd  Cd2  2  0.4886  0.5000  0.9631  1
  Ir  Ir3  2  0.0186  0.5000  0.4825  1
]