# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18776137
_cell_length_b   9.37753087
_cell_length_c   46.90804115
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V30 Fe30'
_cell_volume   1795.47568852
_cell_formula_units_Z   30
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  0.117266  0.815427  0.294806  1
  V  V2  1  0.273004  0.126842  0.309171  1
  V  V3  1  0.430439  0.441750  0.322967  1
  V  V4  1  0.588631  0.758155  0.337312  1
  V  V5  1  0.747133  0.075138  0.351788  1
  V  V6  1  0.905264  0.391419  0.366130  1
  V  V7  1  0.062758  0.706411  0.380995  1
  V  V8  1  0.220751  0.022391  0.395508  1
  V  V9  1  0.378721  0.338339  0.409925  1
  V  V10  1  0.536453  0.653809  0.424468  1
  V  V11  1  0.694448  0.969802  0.439058  1
  V  V12  1  0.852354  0.285618  0.453562  1
  V  V13  1  0.010203  0.601321  0.468099  1
  V  V14  1  0.168141  0.917200  0.482678  1
  V  V15  1  0.326022  0.232966  0.497204  1
  V  V16  1  0.483897  0.548720  0.511729  1
  V  V17  1  0.641836  0.864602  0.526289  1
  V  V18  1  0.799703  0.180341  0.540839  1
  V  V19  1  0.957568  0.496075  0.555354  1
  V  V20  1  0.115554  0.812052  0.569859  1
  V  V21  1  0.273403  0.127753  0.584486  1
  V  V22  1  0.431181  0.443315  0.598940  1
  V  V23  1  0.589247  0.759451  0.613294  1
  V  V24  1  0.747094  0.075140  0.628364  1
  V  V25  1  0.904361  0.389687  0.642779  1
  V  V26  1  0.063173  0.707321  0.657123  1
  V  V27  1  0.221802  0.024541  0.672368  1
  V  V28  1  0.380484  0.341986  0.685178  1
  V  V29  1  0.536425  0.653867  0.699702  1
  V  V30  1  0.688684  0.958275  0.713327  1
  Fe  Fe31  1  0.540936  0.662901  0.289380  1
  Fe  Fe32  1  0.693440  0.967715  0.302555  1
  Fe  Fe33  1  0.851213  0.283270  0.316912  1
  Fe  Fe34  1  0.010411  0.601742  0.329888  1
  Fe  Fe35  1  0.168025  0.916925  0.344475  1
  Fe  Fe36  1  0.326263  0.233400  0.358866  1
  Fe  Fe37  1  0.483685  0.548257  0.373290  1
  Fe  Fe38  1  0.641755  0.864401  0.388269  1
  Fe  Fe39  1  0.799794  0.180482  0.402702  1
  Fe  Fe40  1  0.957552  0.496005  0.417203  1
  Fe  Fe41  1  0.115481  0.811868  0.431815  1
  Fe  Fe42  1  0.273433  0.127774  0.446313  1
  Fe  Fe43  1  0.431265  0.443441  0.460837  1
  Fe  Fe44  1  0.589160  0.759237  0.475392  1
  Fe  Fe45  1  0.747089  0.075099  0.489938  1
  Fe  Fe46  1  0.904957  0.390838  0.504464  1
  Fe  Fe47  1  0.062851  0.706630  0.518986  1
  Fe  Fe48  1  0.220797  0.022528  0.533569  1
  Fe  Fe49  1  0.378612  0.338159  0.548102  1
  Fe  Fe50  1  0.536508  0.653957  0.562588  1
  Fe  Fe51  1  0.694562  0.970071  0.577233  1
  Fe  Fe52  1  0.852214  0.285375  0.591745  1
  Fe  Fe53  1  0.010240  0.601439  0.606177  1
  Fe  Fe54  1  0.168403  0.917762  0.620822  1
  Fe  Fe55  1  0.325958  0.232873  0.635523  1
  Fe  Fe56  1  0.484028  0.549039  0.649797  1
  Fe  Fe57  1  0.641569  0.864080  0.664153  1
  Fe  Fe58  1  0.799363  0.179646  0.678518  1
  Fe  Fe59  1  0.958606  0.498224  0.691818  1
  Fe  Fe60  1  0.114788  0.810573  0.706268  1
