data_[Mn32In16C144O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [13.8461]
_cell_length_b [13.8461]
_cell_length_c [28.7856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [88]
_chemical_formula_structural [Mn2In(CO)9]
_chemical_formula_sum '[Mn32 In16 C144 O144]'
_cell_volume [5518.6338]
_cell_formula_units_Z [16]
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
[
  Mn  Mn0  16  0.1081  0.3213  0.8469  1
  Mn  Mn1  8  0.0000  0.0000  0.0963  1
  Mn  Mn2  8  0.0000  0.0000  0.2104  1
  In  In3  16  0.0574  0.1381  0.8466  1
  C  C4  16  0.0140  0.3287  0.8926  1
  C  C5  16  0.0161  0.3345  0.8006  1
  C  C6  16  0.0294  0.0922  0.7480  1
  C  C7  16  0.0410  0.0885  0.9455  1
  C  C8  16  0.0432  0.1272  0.2079  1
  C  C9  16  0.0508  0.1377  0.5978  1
  C  C10  16  0.0561  0.1213  0.0995  1
  C  C11  16  0.1980  0.2862  0.8015  1
  C  C12  16  0.2000  0.2879  0.8915  1
  O  O13  16  0.0314  0.3456  0.6518  1
  O  O14  16  0.0397  0.1562  0.4792  1
  O  O15  16  0.0442  0.1663  0.3283  1
  O  O16  16  0.0460  0.1479  0.7184  1
  O  O17  16  0.0654  0.1421  0.9747  1
  O  O18  16  0.0701  0.2068  0.2086  1
  O  O19  16  0.0925  0.1974  0.0989  1
  O  O20  16  0.2311  0.2595  0.6683  1
  O  O21  16  0.2346  0.2549  0.5238  1
]