data_[Zn4Ni6Ir4]
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 [8.1568]
_cell_length_b [3.7621]
_cell_length_c [5.9147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2Ni3Ir2]
_chemical_formula_sum '[Zn4 Ni6 Ir4]'
_cell_volume [179.0352]
_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  0.1401  0.0000  0.4268  1
  Ni  Ni1  4  0.0678  0.5000  0.7137  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  4  0.2133  0.5000  0.1364  1
]