# generated using pymatgen
data_Sc3FeB7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58521488
_cell_length_b   7.58521442
_cell_length_c   8.92045732
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   155.32738920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3FeB7
_chemical_formula_sum   'Sc6 Fe2 B14'
_cell_volume   214.24434541
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.89405683  0.10594317  0.44255764  1.0
  Sc  Sc1  1  0.10594317  0.89405683  0.55744236  1.0
  Sc  Sc2  1  0.89405683  0.10594317  0.05744236  1.0
  Sc  Sc3  1  0.10594317  0.89405683  0.94255764  1.0
  Sc  Sc4  1  0.24529968  0.75470032  0.25000000  1.0
  Sc  Sc5  1  0.75470032  0.24529968  0.75000000  1.0
  Fe  Fe6  1  0.05134683  0.94865317  0.25000000  1.0
  Fe  Fe7  1  0.94865317  0.05134683  0.75000000  1.0
  B  B8  1  0.72781639  0.27218361  0.46710849  1.0
  B  B9  1  0.27218361  0.72781639  0.53289151  1.0
  B  B10  1  0.72781639  0.27218361  0.03289151  1.0
  B  B11  1  0.27218361  0.72781639  0.96710849  1.0
  B  B12  1  0.63104366  0.36895634  0.15201731  1.0
  B  B13  1  0.36895634  0.63104366  0.84798269  1.0
  B  B14  1  0.63104366  0.36895634  0.34798269  1.0
  B  B15  1  0.36895634  0.63104366  0.65201731  1.0
  B  B16  1  0.51797956  0.48202044  0.09628122  1.0
  B  B17  1  0.48202044  0.51797956  0.90371878  1.0
  B  B18  1  0.51797956  0.48202044  0.40371878  1.0
  B  B19  1  0.48202044  0.51797956  0.59628122  1.0
  B  B20  1  0.44887218  0.55112782  0.25000000  1.0
  B  B21  1  0.55112782  0.44887218  0.75000000  1.0