data_[Zn16Cu2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8874]
_cell_length_b [10.2161]
_cell_length_c [4.1468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zn8CuIr2]
_chemical_formula_sum '[Zn16 Cu2 Ir4]'
_cell_volume [334.1447]
_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  8  0.1675  0.1335  0.0000  1.0
  Zn  Zn1  4  0.0000  0.2401  0.5000  1.0
  Zn  Zn2  4  0.1753  0.5000  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  Ir  Ir4  4  0.0000  0.3746  0.0000  1.0
]