data_[Zn48Ni8Ir8]
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 [Cmmm]
_cell_length_a [7.6336]
_cell_length_b [10.7351]
_cell_length_c [10.7207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zn6NiIr]
_chemical_formula_sum '[Zn48 Ni8 Ir8]'
_cell_volume [878.5279]
_cell_formula_units_Z [8]
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  16  0.2492  0.1256  0.1224  1
  Zn  Zn1  16  0.2498  0.1250  0.3725  1
  Zn  Zn2  8  0.0000  0.2475  0.2451  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
  Zn  Zn4  2  0.0000  0.0000  0.5000  1
  Zn  Zn5  2  0.0000  0.5000  0.0000  1
  Zn  Zn6  2  0.0000  0.5000  0.5000  1
  Ni  Ni7  4  0.0000  0.0000  0.2490  1
  Ni  Ni8  4  0.0000  0.2441  0.0000  1
  Ir  Ir9  4  0.0000  0.2458  0.5000  1
  Ir  Ir10  4  0.0000  0.5000  0.2493  1
]