data_[Cr2Fe4Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.9220]
_cell_length_b [9.9116]
_cell_length_c [4.0200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cr(FeIr4)2]
_chemical_formula_sum '[Cr2 Fe4 Ir16]'
_cell_volume [315.6497]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.5000  1
  Fe  Fe1  4  0.0000  0.3846  0.0000  1
  Ir  Ir2  8  0.1650  0.1321  0.0000  1
  Ir  Ir3  4  0.0000  0.2560  0.5000  1
  Ir  Ir4  4  0.1657  0.5000  0.5000  1
]