data_[Mo4P2H58C40O4]
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
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.9075]
_cell_length_b [9.4909]
_cell_length_c [14.8318]
_cell_angle_alpha [86.8224]
_cell_angle_beta [80.8579]
_cell_angle_gamma [67.3806]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mo2PH29(C10O)2]
_chemical_formula_sum '[Mo4 P2 H58 C40 O4]'
_cell_volume [1014.4198]
_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
[
  Mo  Mo0  2  0.3288  0.4211  0.2921  1
  Mo  Mo1  2  0.3868  0.7220  0.6343  1
  P  P2  2  0.4115  0.7940  0.7832  1
  H  H3  2  0.0211  0.9731  0.8807  1
  H  H4  2  0.0242  0.2344  0.3432  1
  H  H5  2  0.0261  0.8151  0.8201  1
  H  H6  2  0.0282  0.1769  0.0584  1
  H  H7  2  0.0334  0.5481  0.7786  1
  H  H8  2  0.0412  0.0237  0.6680  1
  H  H9  2  0.0743  0.3975  0.6225  1
  H  H10  2  0.1491  0.1265  0.7868  1
  H  H11  2  0.1644  0.7469  0.3529  1
  H  H12  2  0.1992  0.0975  0.9008  1
  H  H13  2  0.2023  0.5732  0.9553  1
  H  H14  2  0.2028  0.6043  0.5108  1
  H  H15  2  0.2254  0.5067  0.0989  1
  H  H16  2  0.2276  0.7749  0.0375  1
  H  H17  2  0.2520  0.2810  0.2818  1
  H  H18  2  0.2714  0.5474  0.8355  1
  H  H19  2  0.2775  0.2205  0.8266  1
  H  H20  2  0.2830  0.9257  0.9835  1
  H  H21  2  0.2833  0.1268  0.1691  1
  H  H22  2  0.2982  0.0268  0.5256  1
  H  H23  2  0.3482  0.6906  0.1809  1
  H  H24  2  0.3562  0.0590  0.3293  1
  H  H25  2  0.3920  0.9283  0.1437  1
  H  H26  2  0.4085  0.7627  0.4315  1
  H  H27  2  0.4107  0.0450  0.6523  1
  H  H28  2  0.4403  0.5204  0.9077  1
  H  H29  2  0.4571  0.0610  0.0721  1
  H  H30  2  0.4587  0.7395  0.9850  1
  H  H31  2  0.4733  0.8644  0.2939  1
  C  C32  2  0.0220  0.5990  0.3160  1
  C  C33  2  0.0432  0.5208  0.2331  1
  C  C34  2  0.0592  0.8491  0.8826  1
  C  C35  2  0.0771  0.7982  0.6117  1
  C  C36  2  0.1095  0.9351  0.6163  1
  C  C37  2  0.1451  0.6785  0.3021  1
  C  C38  2  0.1786  0.5510  0.1681  1
  C  C39  2  0.1961  0.7131  0.5338  1
  C  C40  2  0.2420  0.6486  0.2109  1
  C  C41  2  0.2461  0.9363  0.5415  1
  C  C42  2  0.2550  0.1127  0.8300  1
  C  C43  2  0.2642  0.7601  0.8908  1
  C  C44  2  0.2978  0.5899  0.8968  1
  C  C45  2  0.3019  0.7982  0.4911  1
  C  C46  2  0.3089  0.3273  0.4155  1
  C  C47  2  0.3121  0.8037  0.9785  1
  C  C48  2  0.4029  0.5223  0.6756  1
  C  C49  2  0.4157  0.0355  0.1432  1
  C  C50  2  0.4389  0.9827  0.7952  1
  C  C51  2  0.4901  0.9729  0.3000  1
  O  O52  2  0.2375  0.2890  0.4849  1
  O  O53  2  0.3869  0.4025  0.6910  1
]