data_[Mo12H32C16S4N8Cl24O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.0354]
_cell_length_b [15.3094]
_cell_length_c [12.6111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mo3H8C4SN2Cl6O7]
_chemical_formula_sum '[Mo12 H32 C16 S4 N8 Cl24 O28]'
_cell_volume [2130.5293]
_cell_formula_units_Z [4]
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
[
  Mo  Mo0  4  0.0522  0.7183  0.5511  1
  Mo  Mo1  4  0.2417  0.6077  0.0711  1
  Mo  Mo2  4  0.3509  0.6893  0.5721  1
  H  H3  4  0.0312  0.0779  0.6487  1
  H  H4  4  0.1933  0.5195  0.3669  1
  H  H5  4  0.1941  0.0931  0.3398  1
  H  H6  4  0.2107  0.2441  0.2461  1
  H  H7  4  0.2239  0.2368  0.1078  1
  H  H8  4  0.3617  0.1252  0.0382  1
  H  H9  4  0.3939  0.0366  0.1218  1
  H  H10  4  0.4517  0.1408  0.6080  1
  C  C11  4  0.0233  0.6130  0.9113  1
  C  C12  4  0.1937  0.5748  0.4227  1
  C  C13  4  0.3005  0.1359  0.1916  1
  C  C14  4  0.4739  0.6609  0.9451  1
  S  S15  4  0.3132  0.0843  0.3162  1
  N  N16  4  0.2409  0.2106  0.1809  1
  N  N17  4  0.3560  0.0971  0.1115  1
  Cl  Cl18  4  0.0549  0.6525  0.1780  1
  Cl  Cl19  4  0.1516  0.1709  0.8959  1
  Cl  Cl20  4  0.1820  0.6285  0.6835  1
  Cl  Cl21  4  0.2653  0.0354  0.6500  1
  Cl  Cl22  4  0.3820  0.6907  0.2033  1
  Cl  Cl23  4  0.4950  0.0972  0.8549  1
  O  O24  4  0.0153  0.1890  0.5646  1
  O  O25  4  0.0932  0.6104  0.4441  1
  O  O26  4  0.1147  0.5721  0.9490  1
  O  O27  4  0.2249  0.7356  0.0161  1
  O  O28  4  0.2997  0.5956  0.4591  1
  O  O29  4  0.3998  0.6016  0.9707  1
  O  O30  4  0.4746  0.7416  0.9735  1
]