data_[Mo8P16N16O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5563]
_cell_length_b [8.7600]
_cell_length_c [16.3856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MoP2N2O9]
_chemical_formula_sum '[Mo8 P16 N16 O72]'
_cell_volume [1779.2630]
_cell_formula_units_Z [8]
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  8  0.1305  0.3512  0.6490  1
  P  P1  8  0.0435  0.3471  0.4427  1
  P  P2  8  0.1401  0.4238  0.8434  1
  N  N3  8  0.1007  0.1432  0.1857  1
  N  N4  8  0.1366  0.0814  0.9689  1
  O  O5  8  0.0259  0.1292  0.1341  1
  O  O6  8  0.0403  0.3376  0.8597  1
  O  O7  8  0.0633  0.4251  0.0713  1
  O  O8  8  0.0900  0.2693  0.5218  1
  O  O9  8  0.1267  0.4760  0.7509  1
  O  O10  8  0.1299  0.4020  0.3906  1
  O  O11  8  0.1584  0.1738  0.6902  1
  O  O12  8  0.2473  0.3599  0.8784  1
  O  O13  8  0.2479  0.0847  0.3725  1
]