# generated using pymatgen
data_Sc8Fe4B23C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76797438
_cell_length_b   11.00174078
_cell_length_c   3.34355299
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.25718414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Fe4B23C
_chemical_formula_sum   'Sc8 Fe4 B23 C1'
_cell_volume   322.52583974
_cell_formula_units_Z   1
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  0.67423320  0.08627341  0.00000000  1.0
  Sc  Sc1  1  0.05554396  0.12630830  0.00000000  1.0
  Sc  Sc2  1  0.55651704  0.37097963  0.00000000  1.0
  Sc  Sc3  1  0.17953799  0.41409113  0.00000000  1.0
  Sc  Sc4  1  0.82147600  0.58527272  0.00000000  1.0
  Sc  Sc5  1  0.44430895  0.62998112  0.00000000  1.0
  Sc  Sc6  1  0.94475810  0.87334692  0.00000000  1.0
  Sc  Sc7  1  0.32013746  0.91542651  0.00000000  1.0
  Fe  Fe8  1  0.35841367  0.17968649  0.00000000  1.0
  Fe  Fe9  1  0.85952246  0.31446157  0.00000000  1.0
  Fe  Fe10  1  0.13923066  0.68131073  0.00000000  1.0
  Fe  Fe11  1  0.64355747  0.82381467  0.00000000  1.0
  B  B12  1  0.44389050  0.06595139  0.49999900  1.0
  B  B13  1  0.24829530  0.08056624  0.49999900  1.0
  B  B14  1  0.86780741  0.17764635  0.49999900  1.0
  B  B15  1  0.51539014  0.21194940  0.49999900  1.0
  B  B16  1  0.20622871  0.23542565  0.49999900  1.0
  B  B17  1  0.70629562  0.26115119  0.49999900  1.0
  B  B18  1  0.01650019  0.28497979  0.49999900  1.0
  B  B19  1  0.36813927  0.31668182  0.49999900  1.0
  B  B20  1  0.75091939  0.41727952  0.49999900  1.0
  B  B21  1  0.94603765  0.43133467  0.49999900  1.0
  B  B22  1  0.39674999  0.47261227  0.49999900  1.0
  B  B23  1  0.60515088  0.52840600  0.49999900  1.0
  B  B24  1  0.05417864  0.56540782  0.49999900  1.0
  B  B25  1  0.24992812  0.58146079  0.49999900  1.0
  B  B26  1  0.63292776  0.68539073  0.49999900  1.0
  B  B27  1  0.98259745  0.71181378  0.49999900  1.0
  B  B28  1  0.29348769  0.73750632  0.49999900  1.0
  B  B29  1  0.79471534  0.76664991  0.49999900  1.0
  B  B30  1  0.48477998  0.78980036  0.49999900  1.0
  B  B31  1  0.13032913  0.81672701  0.49999900  1.0
  B  B32  1  0.75413943  0.92390599  0.49999900  1.0
  B  B33  1  0.55629834  0.93620870  0.49999900  1.0
  B  B34  1  0.10367471  0.97167490  0.49999900  1.0
  C  C35  1  0.89431238  0.02852819  0.49999900  1.0