# generated using pymatgen
data_YFeB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41708260
_cell_length_b   5.89548447
_cell_length_c   11.41474352
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeB4
_chemical_formula_sum   'Y4 Fe4 B16'
_cell_volume   229.95408785
_cell_formula_units_Z   4
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
  Y  Y0  1  0.50000000  0.37310170  0.15035181  1.0
  Y  Y1  1  0.50000000  0.62689830  0.84964819  1.0
  Y  Y2  1  0.50000000  0.12689830  0.65035181  1.0
  Y  Y3  1  0.50000000  0.87310170  0.34964819  1.0
  Fe  Fe4  1  0.50000000  0.37154738  0.41628820  1.0
  Fe  Fe5  1  0.50000000  0.62845262  0.58371180  1.0
  Fe  Fe6  1  0.50000000  0.12845262  0.91628820  1.0
  Fe  Fe7  1  0.50000000  0.87154738  0.08371180  1.0
  B  B8  1  -0.00000000  0.11227329  0.04652891  1.0
  B  B9  1  -0.00000000  0.88772671  0.95347109  1.0
  B  B10  1  -0.00000000  0.38772671  0.54652891  1.0
  B  B11  1  -0.00000000  0.61227329  0.45347109  1.0
  B  B12  1  -0.00000000  0.13894112  0.46713530  1.0
  B  B13  1  -0.00000000  0.86105888  0.53286470  1.0
  B  B14  1  -0.00000000  0.36105888  0.96713530  1.0
  B  B15  1  -0.00000000  0.63894112  0.03286470  1.0
  B  B16  1  -0.00000000  0.02265924  0.19040582  1.0
  B  B17  1  0.00000000  0.97734076  0.80959418  1.0
  B  B18  1  -0.00000000  0.47734076  0.69040582  1.0
  B  B19  1  -0.00000000  0.52265924  0.30959418  1.0
  B  B20  1  -0.00000000  0.21925470  0.31668624  1.0
  B  B21  1  -0.00000000  0.78074530  0.68331376  1.0
  B  B22  1  -0.00000000  0.28074530  0.81668624  1.0
  B  B23  1  -0.00000000  0.71925470  0.18331376  1.0