data_[Cr8Ni12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9292]
_cell_length_b [2.5764]
_cell_length_c [16.0610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cr2Ni3Ir]
_chemical_formula_sum '[Cr8 Ni12 Ir4]'
_cell_volume [286.7240]
_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
[
  Cr  Cr0  4  0.0797  0.7500  0.3060  1
  Cr  Cr1  4  0.2478  0.7500  0.4416  1
  Ni  Ni2  4  0.0484  0.7500  0.5643  1
  Ni  Ni3  4  0.1051  0.7500  0.0588  1
  Ni  Ni4  4  0.2445  0.7500  0.6843  1
  Ir  Ir5  4  0.1016  0.7500  0.8242  1
]