# generated using pymatgen
data_Sc4CrFeB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35526380
_cell_length_b   8.83838029
_cell_length_c   11.14081357
_cell_angle_alpha   89.83114287
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4CrFeB12
_chemical_formula_sum   'Sc8 Cr2 Fe2 B24'
_cell_volume   330.38047730
_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  0.00000000  0.82117851  0.08519148  1.0
  Sc  Sc1  1  0.00000000  0.17882149  0.91480852  1.0
  Sc  Sc2  1  0.00000000  0.32096910  0.41428714  1.0
  Sc  Sc3  1  0.00000000  0.67903090  0.58571286  1.0
  Sc  Sc4  1  0.00000000  0.44175580  0.12912757  1.0
  Sc  Sc5  1  0.00000000  0.55824420  0.87087243  1.0
  Sc  Sc6  1  0.00000000  0.94409892  0.37016369  1.0
  Sc  Sc7  1  0.00000000  0.05590108  0.62983631  1.0
  Cr  Cr8  1  0.00000000  0.63983138  0.31880094  1.0
  Cr  Cr9  1  0.00000000  0.36016862  0.68119906  1.0
  Fe  Fe10  1  0.00000000  0.13938121  0.17954042  1.0
  Fe  Fe11  1  0.00000000  0.86061879  0.82045958  1.0
  B  B12  1  0.50000000  0.05399951  0.06613277  1.0
  B  B13  1  0.50000000  0.94600049  0.93386723  1.0
  B  B14  1  0.50000000  0.55270553  0.43422410  1.0
  B  B15  1  0.50000000  0.44729447  0.56577590  1.0
  B  B16  1  0.50000000  0.24923207  0.08079361  1.0
  B  B17  1  0.50000000  0.75076793  0.91920639  1.0
  B  B18  1  0.50000000  0.75094164  0.42036300  1.0
  B  B19  1  0.50000000  0.24905836  0.57963700  1.0
  B  B20  1  0.50000000  0.29156137  0.23517659  1.0
  B  B21  1  0.50000000  0.70843863  0.76482341  1.0
  B  B22  1  0.50000000  0.79522863  0.26286858  1.0
  B  B23  1  0.50000000  0.20477137  0.73713142  1.0
  B  B24  1  0.50000000  0.13050054  0.31511889  1.0
  B  B25  1  0.50000000  0.86949946  0.68488111  1.0
  B  B26  1  0.50000000  0.63078162  0.18261612  1.0
  B  B27  1  0.50000000  0.36921838  0.81738388  1.0
  B  B28  1  0.50000000  0.47874897  0.28765702  1.0
  B  B29  1  0.50000000  0.52125103  0.71234298  1.0
  B  B30  1  0.50000000  0.98280890  0.21096170  1.0
  B  B31  1  0.50000000  0.01719110  0.78903830  1.0
  B  B32  1  0.50000000  0.10136023  0.47170181  1.0
  B  B33  1  0.50000000  0.89863977  0.52829819  1.0
  B  B34  1  0.50000000  0.60167566  0.02736179  1.0
  B  B35  1  0.50000000  0.39832434  0.97263821  1.0