# generated using pymatgen
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82321209
_cell_length_b   8.27634843
_cell_length_c   49.60972034
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe3
_chemical_formula_sum   'V20 Fe60'
_cell_volume   2390.93710869
_cell_formula_units_Z   20
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  0.002365  0.374872  0.353463  1
  V  V2  1  0.502365  0.124872  0.312461  1
  V  V3  1  0.502365  0.624872  0.312461  1
  V  V4  1  0.002365  0.874872  0.353463  1
  V  V5  1  1.002365  0.874872  0.437666  1
  V  V6  1  0.502365  0.624872  0.396178  1
  V  V7  1  0.502365  0.124872  0.396178  1
  V  V8  1  0.002365  0.374872  0.437666  1
  V  V9  1  1.002365  0.374872  0.521287  1
  V  V10  1  0.502365  0.124872  0.479431  1
  V  V11  1  0.502365  0.624872  0.479431  1
  V  V12  1  1.002365  0.874872  0.521287  1
  V  V13  1  1.002365  0.874872  0.604541  1
  V  V14  1  0.502365  0.624872  0.563052  1
  V  V15  1  0.502365  0.124872  0.563052  1
  V  V16  1  1.002365  0.374872  0.604541  1
  V  V17  1  1.002365  0.374872  0.688257  1
  V  V18  1  0.502365  0.124872  0.647255  1
  V  V19  1  0.502365  0.624872  0.647255  1
  V  V20  1  0.002365  0.874872  0.688257  1
  Fe  Fe21  1  0.750208  0.124872  0.354216  1
  Fe  Fe22  1  0.254522  0.124872  0.354216  1
  Fe  Fe23  1  0.502365  0.374872  0.354452  1
  Fe  Fe24  1  0.259732  0.874872  0.313164  1
  Fe  Fe25  1  0.744999  0.874872  0.313164  1
  Fe  Fe26  1  1.002365  0.124872  0.314991  1
  Fe  Fe27  1  0.259732  0.374872  0.313164  1
  Fe  Fe28  1  0.744999  0.374872  0.313164  1
  Fe  Fe29  1  1.002365  0.624872  0.314991  1
  Fe  Fe30  1  0.750208  0.624872  0.354216  1
  Fe  Fe31  1  0.254522  0.624872  0.354216  1
  Fe  Fe32  1  0.502365  0.874872  0.354452  1
  Fe  Fe33  1  0.752907  0.624872  0.437711  1
  Fe  Fe34  1  0.251824  0.624872  0.437711  1
  Fe  Fe35  1  0.502365  0.874872  0.437644  1
  Fe  Fe36  1  0.251284  0.374872  0.395787  1
  Fe  Fe37  1  0.753447  0.374872  0.395787  1
  Fe  Fe38  1  1.002365  0.624872  0.395752  1
  Fe  Fe39  1  0.251284  0.874872  0.395787  1
  Fe  Fe40  1  0.753447  0.874872  0.395787  1
  Fe  Fe41  1  1.002365  0.124872  0.395752  1
  Fe  Fe42  1  0.752907  0.124872  0.437711  1
  Fe  Fe43  1  0.251824  0.124872  0.437711  1
  Fe  Fe44  1  0.502365  0.374872  0.437644  1
  Fe  Fe45  1  0.752177  0.124872  0.521245  1
  Fe  Fe46  1  0.252553  0.124872  0.521245  1
  Fe  Fe47  1  0.502365  0.374872  0.521207  1
  Fe  Fe48  1  0.252177  0.874872  0.479473  1
  Fe  Fe49  1  0.752553  0.874872  0.479473  1
  Fe  Fe50  1  0.002365  0.124872  0.479512  1
  Fe  Fe51  1  0.252177  0.374872  0.479473  1
  Fe  Fe52  1  0.752553  0.374872  0.479473  1
  Fe  Fe53  1  1.002365  0.624872  0.479512  1
  Fe  Fe54  1  0.752177  0.624872  0.521245  1
  Fe  Fe55  1  0.252553  0.624872  0.521245  1
  Fe  Fe56  1  0.502365  0.874872  0.521207  1
  Fe  Fe57  1  0.751284  0.624872  0.604931  1
  Fe  Fe58  1  0.253447  0.624872  0.604931  1
  Fe  Fe59  1  0.502365  0.874872  0.604966  1
  Fe  Fe60  1  0.252907  0.374872  0.563008  1
  Fe  Fe61  1  0.751824  0.374872  0.563008  1
  Fe  Fe62  1  0.002365  0.624872  0.563074  1
  Fe  Fe63  1  0.252907  0.874872  0.563008  1
  Fe  Fe64  1  0.751824  0.874872  0.563008  1
  Fe  Fe65  1  1.002365  0.124872  0.563074  1
  Fe  Fe66  1  0.751284  0.124872  0.604931  1
  Fe  Fe67  1  0.253447  0.124872  0.604931  1
  Fe  Fe68  1  0.502365  0.374872  0.604966  1
  Fe  Fe69  1  0.759732  0.124872  0.687554  1
  Fe  Fe70  1  0.244999  0.124872  0.687554  1
  Fe  Fe71  1  0.502365  0.374872  0.685727  1
  Fe  Fe72  1  0.250208  0.874872  0.646502  1
  Fe  Fe73  1  0.754522  0.874872  0.646502  1
  Fe  Fe74  1  1.002365  0.124872  0.646266  1
  Fe  Fe75  1  0.250208  0.374872  0.646502  1
  Fe  Fe76  1  0.754522  0.374872  0.646502  1
  Fe  Fe77  1  1.002365  0.624872  0.646266  1
  Fe  Fe78  1  0.759732  0.624872  0.687554  1
  Fe  Fe79  1  0.244999  0.624872  0.687554  1
  Fe  Fe80  1  0.502365  0.874872  0.685727  1
