data_[V4C24N6F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.5187]
_cell_length_b [17.2986]
_cell_length_c [7.7236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [V2C12(NF3)3]
_chemical_formula_sum '[V4 C24 N6 F18]'
_cell_volume [881.8651]
_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  0.3291  0.1663  0.6652  1
  V  V1  2  0.3300  0.3337  0.6641  1
  C  C2  2  0.0008  0.8143  0.0033  1
  C  C3  2  0.0713  0.7635  0.8893  1
  C  C4  2  0.1124  0.7672  0.1820  1
  C  C5  2  0.1832  0.2642  0.0840  1
  C  C6  2  0.2038  0.9127  0.4791  1
  C  C7  2  0.2067  0.5886  0.4845  1
  C  C8  2  0.2816  0.5792  0.7910  1
  C  C9  2  0.2965  0.9212  0.7980  1
  C  C10  2  0.3306  0.8698  0.6574  1
  C  C11  2  0.3360  0.6318  0.6661  1
  C  C12  2  0.4813  0.0800  0.2552  1
  C  C13  2  0.4856  0.4214  0.2470  1
  N  N14  2  0.0054  0.7136  0.0127  1
  N  N15  2  0.3181  0.9675  0.6388  1
  N  N16  2  0.3242  0.5329  0.6441  1
  F  F17  2  0.1138  0.2504  0.6037  1
  F  F18  2  0.1796  0.1208  0.4318  1
  F  F19  2  0.1837  0.3801  0.4313  1
  F  F20  2  0.2649  0.1197  0.8331  1
  F  F21  2  0.2655  0.3803  0.8313  1
  F  F22  2  0.4012  0.2501  0.5272  1
  F  F23  2  0.4381  0.6137  0.2674  1
  F  F24  2  0.4386  0.8878  0.2669  1
  F  F25  2  0.4757  0.2498  0.8671  1
]