data_[Fe6Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5912]
_cell_length_b [6.5632]
_cell_length_c [7.6528]
_cell_angle_alpha [87.1921]
_cell_angle_beta [81.9940]
_cell_angle_gamma [78.0907]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe3Ir5]
_chemical_formula_sum '[Fe6 Ir10]'
_cell_volume [223.3921]
_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
[
  Fe  Fe0  2  0.1320  0.1541  0.5207  1
  Fe  Fe1  2  0.2795  0.9326  0.9604  1
  Fe  Fe2  2  0.3895  0.4956  0.8729  1
  Ir  Ir3  2  0.0085  0.7025  0.1573  1
  Ir  Ir4  2  0.1751  0.2679  0.1632  1
  Ir  Ir5  2  0.2587  0.5209  0.4274  1
  Ir  Ir6  2  0.3342  0.8060  0.6497  1
  Ir  Ir7  2  0.4170  0.8785  0.2861  1
]