# generated using pymatgen
data_ScAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13909642
_cell_length_b   5.20309396
_cell_length_c   8.42863240
_cell_angle_alpha   89.99999946
_cell_angle_beta   90.00000770
_cell_angle_gamma   120.41255506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlFe
_chemical_formula_sum   'Sc4 Al4 Fe4'
_cell_volume   194.36393667
_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
  Sc  Sc0  1  0.66607596  0.33303670  0.55366412  1.0
  Sc  Sc1  1  0.33951625  0.66975885  0.42594720  1.0
  Sc  Sc2  1  0.33951498  0.66975754  0.07405315  1.0
  Sc  Sc3  1  0.66607685  0.33303688  0.94633548  1.0
  Al  Al4  1  0.98598532  0.99299298  0.48909695  1.0
  Al  Al5  1  0.98598514  0.99299278  0.01090324  1.0
  Al  Al6  1  0.17557657  0.34137234  0.75000000  1.0
  Al  Al7  1  0.17557215  0.83419704  0.74999998  1.0
  Fe  Fe8  1  0.66534534  0.83267470  0.75000007  1.0
  Fe  Fe9  1  0.82854072  0.64847198  0.24999996  1.0
  Fe  Fe10  1  0.82854476  0.18007358  0.24999997  1.0
  Fe  Fe11  1  0.34326096  0.17163463  0.24999990  1.0