# generated using pymatgen
data_Sc(GaFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99335499
_cell_length_b   8.43163724
_cell_length_c   8.59825180
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(GaFe)6
_chemical_formula_sum   'Sc2 Ga12 Fe12'
_cell_volume   362.00495483
_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  0.00000000  0.00000000  1
  Sc  Sc1  1  0.50000000  0.50000000  0.50000000  1
  Ga  Ga2  1  0.00000000  0.00000000  0.34061000  1
  Ga  Ga3  1  0.00000000  0.00000000  0.65939000  1
  Ga  Ga4  1  0.50000000  0.50000000  0.84061000  1
  Ga  Ga5  1  0.50000000  0.50000000  0.15939000  1
  Ga  Ga6  1  0.00000000  0.32655400  0.00000000  1
  Ga  Ga7  1  0.00000000  0.67344600  0.00000000  1
  Ga  Ga8  1  0.50000000  0.82655400  0.50000000  1
  Ga  Ga9  1  0.50000000  0.17344600  0.50000000  1
  Ga  Ga10  1  0.00000000  0.50000000  0.32336200  1
  Ga  Ga11  1  0.00000000  0.50000000  0.67663800  1
  Ga  Ga12  1  0.50000000  0.00000000  0.82336200  1
  Ga  Ga13  1  0.50000000  0.00000000  0.17663800  1
  Fe  Fe14  1  0.25000000  0.25000000  0.25000000  1
  Fe  Fe15  1  0.75000000  0.75000000  0.75000000  1
  Fe  Fe16  1  0.75000000  0.75000000  0.25000000  1
  Fe  Fe17  1  0.25000000  0.25000000  0.75000000  1
  Fe  Fe18  1  0.25000000  0.75000000  0.75000000  1
  Fe  Fe19  1  0.75000000  0.25000000  0.25000000  1
  Fe  Fe20  1  0.75000000  0.25000000  0.75000000  1
  Fe  Fe21  1  0.25000000  0.75000000  0.25000000  1
  Fe  Fe22  1  0.00000000  0.25627600  0.50000000  1
  Fe  Fe23  1  0.00000000  0.74372400  0.50000000  1
  Fe  Fe24  1  0.50000000  0.75627600  0.00000000  1
  Fe  Fe25  1  0.50000000  0.24372400  0.00000000  1
