data_[V2H28C14S2N4O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9749]
_cell_length_b [8.5249]
_cell_length_c [11.9278]
_cell_angle_alpha [76.6849]
_cell_angle_beta [75.5126]
_cell_angle_gamma [82.0564]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VH14C7SN2O9]
_chemical_formula_sum '[V2 H28 C14 S2 N4 O18]'
_cell_volume [570.3220]
_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
[
  V  V0  2  0.3616  0.8085  0.8838  1
  H  H1  2  0.0639  0.4908  0.8753  1
  H  H2  2  0.0640  0.8726  0.6498  1
  H  H3  2  0.0851  0.9051  0.2505  1
  H  H4  2  0.0898  0.2020  0.8789  1
  H  H5  2  0.1056  0.5464  0.2091  1
  H  H6  2  0.1134  0.2056  0.4950  1
  H  H7  2  0.1344  0.7085  0.3367  1
  H  H8  2  0.1597  0.5277  0.7279  1
  H  H9  2  0.2914  0.3260  0.6142  1
  H  H10  2  0.2929  0.7755  0.4716  1
  H  H11  2  0.2972  0.9790  0.3848  1
  H  H12  2  0.3279  0.9631  0.5942  1
  H  H13  2  0.3450  0.1253  0.6917  1
  H  H14  2  0.3580  0.2935  0.8198  1
  C  C15  2  0.0083  0.8141  0.3260  1
  C  C16  2  0.1612  0.9555  0.5744  1
  C  C17  2  0.1880  0.2850  0.8045  1
  C  C18  2  0.2001  0.8963  0.4605  1
  C  C19  2  0.2177  0.2310  0.6886  1
  C  C20  2  0.3827  0.4741  0.0013  1
  C  C21  2  0.4241  0.9593  0.0581  1
  S  S22  2  0.4047  0.3849  0.3240  1
  N  N23  2  0.0264  0.1169  0.5660  1
  N  N24  2  0.0654  0.4496  0.8000  1
  O  O25  2  0.1152  0.8883  0.8522  1
  O  O26  2  0.1808  0.3717  0.4116  1
  O  O27  2  0.2422  0.5837  0.9564  1
  O  O28  2  0.2976  0.8555  0.0527  1
  O  O29  2  0.3404  0.3309  0.0481  1
  O  O30  2  0.3850  0.5271  0.2277  1
  O  O31  2  0.4019  0.6085  0.6220  1
  O  O32  2  0.4382  0.0011  0.1513  1
  O  O33  2  0.4489  0.2306  0.2729  1
]