data_[In2Ir30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7457]
_cell_length_b [2.7381]
_cell_length_c [35.7208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InIr15]
_chemical_formula_sum '[In2 Ir30]'
_cell_volume [757.5794]
_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  0.1248  0.2500  0.7057  1
  Ir  Ir1  2  0.1240  0.2500  0.1726  1
  Ir  Ir2  2  0.1247  0.2500  0.9421  1
  Ir  Ir3  2  0.1250  0.2500  0.8658  1
  Ir  Ir4  2  0.1252  0.2500  0.7885  1
  Ir  Ir5  2  0.1252  0.2500  0.0191  1
  Ir  Ir6  2  0.1258  0.2500  0.0960  1
  Ir  Ir7  2  0.1308  0.2500  0.2496  1
  Ir  Ir8  2  0.3738  0.7500  0.8275  1
  Ir  Ir9  2  0.3745  0.7500  0.2839  1
  Ir  Ir10  2  0.3748  0.7500  0.0574  1
  Ir  Ir11  2  0.3749  0.7500  0.1342  1
  Ir  Ir12  2  0.3751  0.7500  0.9806  1
  Ir  Ir13  2  0.3756  0.7500  0.2089  1
  Ir  Ir14  2  0.3757  0.7500  0.9041  1
  Ir  Ir15  2  0.3811  0.7500  0.7502  1
]