# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19043233
_cell_length_b   6.63385649
_cell_length_c   47.40030260
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V22 Fe22'
_cell_volume   1250.04967865
_cell_formula_units_Z   22
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  V1  1  0.932724  0.488561  0.287974  1
  V  V2  1  0.153074  0.929262  0.308029  1
  V  V3  1  0.375335  0.373808  0.328626  1
  V  V4  1  0.598708  0.820567  0.349325  1
  V  V5  1  0.820374  0.263907  0.370474  1
  V  V6  1  0.042794  0.708755  0.391256  1
  V  V7  1  0.264883  0.152948  0.412124  1
  V  V8  1  0.487151  0.597494  0.433046  1
  V  V9  1  0.709371  0.041946  0.453932  1
  V  V10  1  0.931584  0.486383  0.474847  1
  V  V11  1  0.153806  0.930839  0.495740  1
  V  V12  1  0.376013  0.375263  0.516636  1
  V  V13  1  0.598253  0.819754  0.537543  1
  V  V14  1  0.820447  0.264154  0.558434  1
  V  V15  1  0.042688  0.708648  0.579307  1
  V  V16  1  0.264872  0.153029  0.600203  1
  V  V17  1  0.486984  0.597263  0.620984  1
  V  V18  1  0.709377  0.042058  0.642192  1
  V  V19  1  0.931193  0.485705  0.663092  1
  V  V20  1  0.154928  0.933161  0.684375  1
  V  V21  1  0.378603  0.380618  0.703635  1
  V  V22  1  0.591619  0.806526  0.723405  1
  Fe  Fe23  1  0.325402  0.274079  0.279437  1
  Fe  Fe24  1  0.540099  0.703263  0.298663  1
  Fe  Fe25  1  0.765257  0.153676  0.318126  1
  Fe  Fe26  1  0.987265  0.597660  0.338861  1
  Fe  Fe27  1  0.209201  0.041546  0.359671  1
  Fe  Fe28  1  0.431696  0.486556  0.380868  1
  Fe  Fe29  1  0.653777  0.930728  0.401704  1
  Fe  Fe30  1  0.876085  0.375357  0.422622  1
  Fe  Fe31  1  0.098254  0.819704  0.443497  1
  Fe  Fe32  1  0.320468  0.264145  0.464392  1
  Fe  Fe33  1  0.542700  0.708621  0.485290  1
  Fe  Fe34  1  0.764906  0.153044  0.506183  1
  Fe  Fe35  1  0.987128  0.597498  0.527073  1
  Fe  Fe36  1  0.209340  0.041935  0.547983  1
  Fe  Fe37  1  0.431538  0.486342  0.568859  1
  Fe  Fe38  1  0.653802  0.930884  0.589837  1
  Fe  Fe39  1  0.875971  0.375234  0.610679  1
  Fe  Fe40  1  0.098440  0.820184  0.631592  1
  Fe  Fe41  1  0.320318  0.263943  0.652523  1
  Fe  Fe42  1  0.542808  0.708925  0.672983  1
  Fe  Fe43  1  0.764257  0.151796  0.693642  1
  Fe  Fe44  1  0.987919  0.599226  0.713441  1
