data_[In4Fe2B4Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.6646]
_cell_length_b [9.6646]
_cell_length_c [2.9552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [In2FeB2Ir5]
_chemical_formula_sum '[In4 Fe2 B4 Ir10]'
_cell_volume [276.0241]
_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
[
  In  In0  4  0.1792  0.6792  0.0000  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.1253  0.3747  0.0000  1.0
  Ir  Ir3  8  0.0682  0.2177  0.5000  1.0
  Ir  Ir4  2  0.0000  0.5000  0.5000  1.0
]