data_[Zn1Fe2Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8395]
_cell_length_b [3.8395]
_cell_length_c [11.5231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ZnFe2Ir9]
_chemical_formula_sum '[Zn1 Fe2 Ir9]'
_cell_volume [169.8726]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Fe  Fe1  2  0.0000  0.0000  0.3312  1
  Ir  Ir2  4  0.0000  0.5000  0.1716  1
  Ir  Ir3  2  0.0000  0.5000  0.5000  1
  Ir  Ir4  2  0.5000  0.5000  0.3351  1
  Ir  Ir5  1  0.5000  0.5000  0.0000  1
]