# generated using pymatgen
data_Sc(GaFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96921472
_cell_length_b   6.50877144
_cell_length_c   6.50859354
_cell_angle_alpha   80.99204493
_cell_angle_beta   67.54427940
_cell_angle_gamma   67.54461418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(GaFe)6
_chemical_formula_sum   'Sc1 Ga6 Fe6'
_cell_volume   179.78336571
_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  -0.00000087  0.00000922  0.99999146  1.0
  Ga  Ga1  1  1.00001868  0.32823300  0.67173794  1.0
  Ga  Ga2  1  0.65823798  0.34138098  0.34138065  1.0
  Ga  Ga3  1  0.34176206  0.65861420  0.65862421  1.0
  Ga  Ga4  1  0.67857232  0.82148001  0.82148067  1.0
  Ga  Ga5  1  0.32142706  0.17851684  0.17852303  1.0
  Ga  Ga6  1  -0.00002070  0.67177762  0.32825103  1.0
  Fe  Fe7  1  0.50009955  0.75676701  0.24302071  1.0
  Fe  Fe8  1  0.50000208  -0.00000481  0.50000025  1.0
  Fe  Fe9  1  1.00000669  -0.00000361  0.49999774  1.0
  Fe  Fe10  1  0.49999925  0.50000096  1.00000600  1.0
  Fe  Fe11  1  -0.00000133  0.50000066  1.00000332  1.0
  Fe  Fe12  1  0.49989923  0.24322992  0.75698198  1.0