# generated using pymatgen
data_Sc4AlFe3B16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77316486
_cell_length_b   11.13923409
_cell_length_c   3.26379320
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.12126132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4AlFe3B16
_chemical_formula_sum   'Sc4 Al1 Fe3 B16'
_cell_volume   209.88961461
_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  0.63045405  0.35117393  0.00000000  1.0
  Sc  Sc1  1  0.37114620  0.64856920  0.00000000  1.0
  Sc  Sc2  1  0.12489553  0.15204394  0.00000000  1.0
  Sc  Sc3  1  0.87670328  0.84782002  0.00000000  1.0
  Al  Al4  1  0.63258092  0.08672106  0.00000000  1.0
  Fe  Fe5  1  0.37249650  0.91177566  0.00000000  1.0
  Fe  Fe6  1  0.13553144  0.41657371  0.00000000  1.0
  Fe  Fe7  1  0.86297829  0.58948429  0.00000000  1.0
  B  B8  1  0.79268485  0.18888084  0.50000000  1.0
  B  B9  1  0.21221555  0.81450622  0.50000000  1.0
  B  B10  1  0.28459148  0.31550773  0.50000000  1.0
  B  B11  1  0.71243718  0.68468219  0.50000000  1.0
  B  B12  1  0.86918561  0.02949451  0.50000000  1.0
  B  B13  1  0.13558354  0.96641655  0.50000000  1.0
  B  B14  1  0.36429038  0.46911387  0.50000000  1.0
  B  B15  1  0.63540026  0.53102479  0.50000000  1.0
  B  B16  1  0.88643203  0.45282050  0.50000000  1.0
  B  B17  1  0.11315929  0.54830364  0.50000000  1.0
  B  B18  1  0.38026625  0.04548041  0.50000000  1.0
  B  B19  1  0.61214424  0.94834500  0.50000000  1.0
  B  B20  1  0.97978991  0.30826641  0.50000000  1.0
  B  B21  1  0.02246504  0.69269739  0.50000000  1.0
  B  B22  1  0.47269401  0.19502648  0.50000000  1.0
  B  B23  1  0.51987516  0.80527065  0.50000000  1.0