# generated using pymatgen
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82919319
_cell_length_b   5.82919319
_cell_length_c   52.73003519
_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   'V16 Fe48'
_cell_volume   1791.73987433
_cell_formula_units_Z   16
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  0.501850  0.001850  0.291335  1
  V  V2  1  0.001850  0.501850  0.291335  1
  V  V3  1  0.501850  0.501850  0.345908  1
  V  V4  1  1.001850  0.001850  0.345908  1
  V  V5  1  0.501850  0.001850  0.401865  1
  V  V6  1  1.001850  0.501850  0.401865  1
  V  V7  1  0.501850  0.501850  0.457519  1
  V  V8  1  1.001850  0.001850  0.457519  1
  V  V9  1  0.501850  0.001850  0.513215  1
  V  V10  1  1.001850  0.501850  0.513215  1
  V  V11  1  0.501850  0.501850  0.568939  1
  V  V12  1  0.001850  0.001850  0.568939  1
  V  V13  1  0.501850  0.001850  0.624462  1
  V  V14  1  1.001850  0.501850  0.624462  1
  V  V15  1  0.501850  0.501850  0.680621  1
  V  V16  1  1.001850  0.001850  0.680621  1
  Fe  Fe17  1  0.751850  0.251850  0.373995  1
  Fe  Fe18  1  0.751850  0.751850  0.373995  1
  Fe  Fe19  1  0.501850  0.501850  0.292481  1
  Fe  Fe20  1  0.251850  0.751850  0.373995  1
  Fe  Fe21  1  0.251850  0.251850  0.373995  1
  Fe  Fe22  1  1.001850  0.001850  0.292481  1
  Fe  Fe23  1  0.751850  0.751850  0.318547  1
  Fe  Fe24  1  0.751850  0.251850  0.318547  1
  Fe  Fe25  1  0.501850  0.001850  0.346277  1
  Fe  Fe26  1  0.251850  0.251850  0.318547  1
  Fe  Fe27  1  0.251850  0.751850  0.318547  1
  Fe  Fe28  1  1.001850  0.501850  0.346277  1
  Fe  Fe29  1  0.751850  0.251850  0.485372  1
  Fe  Fe30  1  0.751850  0.751850  0.485372  1
  Fe  Fe31  1  0.501850  0.501850  0.401786  1
  Fe  Fe32  1  0.251850  0.751850  0.485372  1
  Fe  Fe33  1  0.251850  0.251850  0.485372  1
  Fe  Fe34  1  1.001850  0.001850  0.401786  1
  Fe  Fe35  1  0.751850  0.751850  0.429675  1
  Fe  Fe36  1  0.751850  0.251850  0.429675  1
  Fe  Fe37  1  0.501850  0.001850  0.457531  1
  Fe  Fe38  1  0.251850  0.251850  0.429675  1
  Fe  Fe39  1  0.251850  0.751850  0.429675  1
  Fe  Fe40  1  1.001850  0.501850  0.457531  1
  Fe  Fe41  1  0.751850  0.251850  0.596763  1
  Fe  Fe42  1  0.751850  0.751850  0.596763  1
  Fe  Fe43  1  0.501850  0.501850  0.513223  1
  Fe  Fe44  1  0.251850  0.751850  0.596763  1
  Fe  Fe45  1  0.251850  0.251850  0.596763  1
  Fe  Fe46  1  1.001850  0.001850  0.513223  1
  Fe  Fe47  1  0.751850  0.751850  0.541065  1
  Fe  Fe48  1  0.751850  0.251850  0.541065  1
  Fe  Fe49  1  0.501850  0.001850  0.568880  1
  Fe  Fe50  1  0.251850  0.251850  0.541065  1
  Fe  Fe51  1  0.251850  0.751850  0.541065  1
  Fe  Fe52  1  0.001850  0.501850  0.568880  1
  Fe  Fe53  1  0.751850  0.251850  0.706984  1
  Fe  Fe54  1  0.751850  0.751850  0.706984  1
  Fe  Fe55  1  0.501850  0.501850  0.624734  1
  Fe  Fe56  1  0.251850  0.751850  0.706984  1
  Fe  Fe57  1  0.251850  0.251850  0.706984  1
  Fe  Fe58  1  1.001850  0.001850  0.624734  1
  Fe  Fe59  1  0.751850  0.751850  0.652625  1
  Fe  Fe60  1  0.751850  0.251850  0.652625  1
  Fe  Fe61  1  0.501850  0.001850  0.678962  1
  Fe  Fe62  1  0.251850  0.251850  0.652625  1
  Fe  Fe63  1  0.251850  0.751850  0.652625  1
  Fe  Fe64  1  1.001850  0.501850  0.678962  1
