data_[Y12Zn4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6219]
_cell_length_b [4.0709]
_cell_length_c [11.4776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y3ZnIr2]
_chemical_formula_sum '[Y12 Zn4 Ir8]'
_cell_volume [543.0319]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.0474  0.2500  0.3761  1
  Y  Y1  4  0.1286  0.7500  0.9242  1
  Y  Y2  4  0.2014  0.2500  0.6758  1
  Zn  Zn3  4  0.1239  0.2500  0.1193  1
  Ir  Ir4  4  0.0103  0.7500  0.1900  1
  Ir  Ir5  4  0.1853  0.7500  0.5007  1
]