data_[Mo8N20Cl36O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  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 [Cmc2_1]
_cell_length_a [11.0968]
_cell_length_b [13.6068]
_cell_length_c [14.2679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mo2N5Cl9O]
_chemical_formula_sum '[Mo8 N20 Cl36 O4]'
_cell_volume [2154.3349]
_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  0.0000  0.0258  0.4414  1
  Mo  Mo1  4  0.0000  0.2550  0.7114  1
  N  N2  8  0.2329  0.2016  0.9201  1
  N  N3  8  0.2369  0.0392  0.2158  1
  N  N4  4  0.0000  0.4476  0.1582  1
  Cl  Cl5  8  0.1852  0.2222  0.6477  1
  Cl  Cl6  8  0.2015  0.0526  0.4730  1
  Cl  Cl7  4  0.0000  0.0955  0.7889  1
  Cl  Cl8  4  0.0000  0.1076  0.0462  1
  Cl  Cl9  4  0.0000  0.1650  0.3421  1
  Cl  Cl10  4  0.0000  0.3507  0.8425  1
  Cl  Cl11  4  0.0000  0.4039  0.6016  1
  O  O12  4  0.0000  0.4408  0.2374  1
]