data_[Zn2Ni8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [8.1251]
_cell_length_b [4.2048]
_cell_length_c [5.0388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnNi4Ir]
_chemical_formula_sum '[Zn2 Ni8 Ir2]'
_cell_volume [143.9863]
_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  0.0000  0.0000  0.0000  1
  Ni  Ni1  4  0.1619  0.5000  0.9797  1
  Ni  Ni2  4  0.1723  0.5000  0.4925  1
  Ir  Ir3  2  0.0000  0.0000  0.5000  1
]