# generated using pymatgen
data_VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19442407
_cell_length_b   4.19442407
_cell_length_c   46.13363828
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe
_chemical_formula_sum   'V12 Fe12'
_cell_volume   702.899139502
_cell_formula_units_Z   12
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  0.750204  0.750408  0.307063  1
  V  V2  1  0.416870  0.417074  0.343496  1
  V  V3  1  0.083537  0.083741  0.380708  1
  V  V4  1  0.750204  0.750408  0.417781  1
  V  V5  1  0.416870  0.417074  0.454989  1
  V  V6  1  0.083537  0.083741  0.492189  1
  V  V7  1  0.750204  0.750408  0.529372  1
  V  V8  1  0.416870  0.417074  0.566496  1
  V  V9  1  0.083537  0.083741  0.603581  1
  V  V10  1  0.750204  0.750408  0.641179  1
  V  V11  1  0.416870  0.417074  0.678561  1
  V  V12  1  0.083537  0.083741  0.712607  1
  Fe  Fe13  1  0.416870  0.417074  0.290930  1
  Fe  Fe14  1  0.083537  0.083741  0.324859  1
  Fe  Fe15  1  0.750204  0.750408  0.361790  1
  Fe  Fe16  1  0.416870  0.417074  0.399293  1
  Fe  Fe17  1  0.083537  0.083741  0.436437  1
  Fe  Fe18  1  0.750204  0.750408  0.473583  1
  Fe  Fe19  1  0.416870  0.417074  0.510743  1
  Fe  Fe20  1  0.083537  0.083741  0.547934  1
  Fe  Fe21  1  0.750204  0.750408  0.585214  1
  Fe  Fe22  1  0.416870  0.417074  0.622309  1
  Fe  Fe23  1  0.083537  0.083741  0.659063  1
  Fe  Fe24  1  0.750204  0.750408  0.695707  1
