data_[In4B8Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.5369]
_cell_length_b [9.5998]
_cell_length_c [6.2601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2B4Ir5]
_chemical_formula_sum '[In4 B8 Ir10]'
_cell_volume [301.4550]
_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  2  0.1333  0.0000  0.2757  1.0
  In  In1  2  0.3660  0.5000  0.7256  1.0
  B  B2  4  0.1292  0.3454  0.2616  1.0
  B  B3  4  0.3729  0.1527  0.7397  1.0
  Ir  Ir4  4  0.0151  0.2434  0.4997  1.0
  Ir  Ir5  4  0.2712  0.2810  0.9957  1.0
  Ir  Ir6  2  0.4240  0.0000  0.0055  1.0
]