data_[Zn4Cu4Ni4Ir2]
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
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1000]
_cell_length_b [3.7149]
_cell_length_c [5.8367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2Cu2Ni2Ir]
_chemical_formula_sum '[Zn4 Cu4 Ni4 Ir2]'
_cell_volume [173.7535]
_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  4  0.0745  0.5000  0.7205  1.0
  Cu  Cu1  4  0.1453  0.0000  0.4320  1.0
  Ni  Ni2  4  0.2170  0.5000  0.1435  1.0
  Ir  Ir3  2  0.0000  0.0000  0.0000  1.0
]