data_[V2Cu3H24O12F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1947]
_cell_length_b [7.3226]
_cell_length_c [7.7341]
_cell_angle_alpha [87.7545]
_cell_angle_beta [89.5536]
_cell_angle_gamma [87.6072]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V2Cu3H24(OF)12]
_chemical_formula_sum '[V2 Cu3 H24 O12 F12]'
_cell_volume [406.7897]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  V  V1  1  0.5000  0.0000  0.5000  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  Cu  Cu3  1  0.0000  0.5000  0.5000  1
  Cu  Cu4  1  0.5000  0.5000  0.0000  1
  H  H5  2  0.0762  0.1644  0.4263  1
  H  H6  2  0.1032  0.2049  0.7640  1
  H  H7  2  0.1228  0.8186  0.4931  1
  H  H8  2  0.2097  0.0068  0.7524  1
  H  H9  2  0.2471  0.0318  0.2170  1
  H  H10  2  0.2571  0.4624  0.2968  1
  H  H11  2  0.2831  0.5262  0.7601  1
  H  H12  2  0.3195  0.1392  0.0438  1
  H  H13  2  0.3423  0.4139  0.4833  1
  H  H14  2  0.3895  0.8396  0.0638  1
  H  H15  2  0.3973  0.7095  0.7562  1
  H  H16  2  0.4856  0.2547  0.7860  1
  O  O17  2  0.0341  0.7511  0.5664  1
  O  O18  2  0.0859  0.0695  0.7692  1
  O  O19  2  0.2542  0.0297  0.0876  1
  O  O20  2  0.2551  0.5008  0.4198  1
  O  O21  2  0.4101  0.5735  0.7716  1
  O  O22  2  0.4977  0.7511  0.0854  1
  F  F23  2  0.1018  0.4129  0.7713  1
  F  F24  2  0.1184  0.7257  0.9632  1
  F  F25  2  0.2248  0.3994  0.1140  1
  F  F26  2  0.2421  0.0021  0.4129  1
  F  F27  2  0.4116  0.9133  0.7281  1
  F  F28  2  0.4523  0.2431  0.5820  1
]