# generated using pymatgen
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26499605
_cell_length_b   8.26499605
_cell_length_c   47.13614725
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe3
_chemical_formula_sum   'V24 Fe72'
_cell_volume   2788.49592534
_cell_formula_units_Z   24
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  0.958613  0.458892  0.330031  1
  V  V2  1  0.458613  0.958892  0.330031  1
  V  V3  1  0.958613  0.958892  0.330031  1
  V  V4  1  0.458613  0.458892  0.330031  1
  V  V5  1  0.625279  0.125558  0.403214  1
  V  V6  1  0.125279  0.625558  0.403214  1
  V  V7  1  0.625279  0.625558  0.403214  1
  V  V8  1  0.125279  0.125558  0.403214  1
  V  V9  1  0.291946  0.792225  0.474633  1
  V  V10  1  0.791946  0.292225  0.474633  1
  V  V11  1  0.291946  0.292225  0.474633  1
  V  V12  1  0.791946  0.792225  0.474633  1
  V  V13  1  0.958613  0.458892  0.546352  1
  V  V14  1  0.458613  0.958892  0.546352  1
  V  V15  1  0.958613  0.958892  0.546352  1
  V  V16  1  0.458613  0.458892  0.546352  1
  V  V17  1  0.625279  0.125558  0.618297  1
  V  V18  1  0.125279  0.625558  0.618297  1
  V  V19  1  0.625279  0.625558  0.618297  1
  V  V20  1  0.125279  0.125558  0.618297  1
  V  V21  1  0.291946  0.792225  0.689611  1
  V  V22  1  0.791946  0.292225  0.689611  1
  V  V23  1  0.291946  0.292225  0.689611  1
  V  V24  1  0.791946  0.792225  0.689611  1
  Fe  Fe25  1  0.125279  0.625558  0.349717  1
  Fe  Fe26  1  0.291946  0.292225  0.314642  1
  Fe  Fe27  1  0.125279  0.125558  0.299542  1
  Fe  Fe28  1  0.625279  0.125558  0.349717  1
  Fe  Fe29  1  0.791946  0.792225  0.314642  1
  Fe  Fe30  1  0.625279  0.625558  0.299542  1
  Fe  Fe31  1  0.125279  0.125558  0.349717  1
  Fe  Fe32  1  0.291946  0.792225  0.314642  1
  Fe  Fe33  1  0.125279  0.625558  0.299542  1
  Fe  Fe34  1  0.625279  0.625558  0.349717  1
  Fe  Fe35  1  0.791946  0.292225  0.314642  1
  Fe  Fe36  1  0.625279  0.125558  0.299542  1
  Fe  Fe37  1  0.791946  0.292225  0.420802  1
  Fe  Fe38  1  0.958613  0.958892  0.384576  1
  Fe  Fe39  1  0.791946  0.792225  0.367069  1
  Fe  Fe40  1  0.291946  0.792225  0.420802  1
  Fe  Fe41  1  0.458613  0.458892  0.384576  1
  Fe  Fe42  1  0.291946  0.292225  0.367069  1
  Fe  Fe43  1  0.791946  0.792225  0.420802  1
  Fe  Fe44  1  0.958613  0.458892  0.384576  1
  Fe  Fe45  1  0.791946  0.292225  0.367069  1
  Fe  Fe46  1  0.291946  0.292225  0.420802  1
  Fe  Fe47  1  0.458613  0.958892  0.384576  1
  Fe  Fe48  1  0.291946  0.792225  0.367069  1
  Fe  Fe49  1  0.458613  0.958892  0.492600  1
  Fe  Fe50  1  0.625279  0.625558  0.456834  1
  Fe  Fe51  1  0.458613  0.458892  0.438726  1
  Fe  Fe52  1  0.958613  0.458892  0.492600  1
  Fe  Fe53  1  0.125279  0.125558  0.456834  1
  Fe  Fe54  1  0.958613  0.958892  0.438726  1
  Fe  Fe55  1  0.458613  0.458892  0.492600  1
  Fe  Fe56  1  0.625279  0.125558  0.456834  1
  Fe  Fe57  1  0.458613  0.958892  0.438726  1
  Fe  Fe58  1  0.958613  0.958892  0.492600  1
  Fe  Fe59  1  0.125279  0.625558  0.456834  1
  Fe  Fe60  1  0.958613  0.458892  0.438726  1
  Fe  Fe61  1  0.125279  0.625558  0.564401  1
  Fe  Fe62  1  0.291946  0.292225  0.528450  1
  Fe  Fe63  1  0.125279  0.125558  0.510569  1
  Fe  Fe64  1  0.625279  0.125558  0.564401  1
  Fe  Fe65  1  0.791946  0.792225  0.528450  1
  Fe  Fe66  1  0.625279  0.625558  0.510569  1
  Fe  Fe67  1  0.125279  0.125558  0.564401  1
  Fe  Fe68  1  0.291946  0.792225  0.528450  1
  Fe  Fe69  1  0.125279  0.625558  0.510569  1
  Fe  Fe70  1  0.625279  0.625558  0.564401  1
  Fe  Fe71  1  0.791946  0.292225  0.528450  1
  Fe  Fe72  1  0.625279  0.125558  0.510569  1
  Fe  Fe73  1  0.791946  0.292225  0.636111  1
  Fe  Fe74  1  0.958613  0.958892  0.600042  1
  Fe  Fe75  1  0.791946  0.792225  0.582295  1
  Fe  Fe76  1  0.291946  0.792225  0.636111  1
  Fe  Fe77  1  0.458613  0.458892  0.600042  1
  Fe  Fe78  1  0.291946  0.292225  0.582295  1
  Fe  Fe79  1  0.791946  0.792225  0.636111  1
  Fe  Fe80  1  0.958613  0.458892  0.600042  1
  Fe  Fe81  1  0.791946  0.292225  0.582295  1
  Fe  Fe82  1  0.291946  0.292225  0.636111  1
  Fe  Fe83  1  0.458613  0.958892  0.600042  1
  Fe  Fe84  1  0.291946  0.792225  0.582295  1
  Fe  Fe85  1  0.458613  0.958892  0.705162  1
  Fe  Fe86  1  0.625279  0.625558  0.672503  1
  Fe  Fe87  1  0.458613  0.458892  0.653279  1
  Fe  Fe88  1  0.958613  0.458892  0.705162  1
  Fe  Fe89  1  0.125279  0.125558  0.672503  1
  Fe  Fe90  1  0.958613  0.958892  0.653279  1
  Fe  Fe91  1  0.458613  0.458892  0.705162  1
  Fe  Fe92  1  0.625279  0.125558  0.672503  1
  Fe  Fe93  1  0.458613  0.958892  0.653279  1
  Fe  Fe94  1  0.958613  0.958892  0.705162  1
  Fe  Fe95  1  0.125279  0.625558  0.672503  1
  Fe  Fe96  1  0.958613  0.458892  0.653279  1
