# generated using pymatgen
data_Sc3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31206687
_cell_length_b   6.31195623
_cell_length_c   5.07970298
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00146599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Al
_chemical_formula_sum   'Sc6 Al2'
_cell_volume   175.26617350
_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  0.82872481  0.17136336  0.75000100  1.0
  Sc  Sc1  1  0.34266911  0.17133078  0.75000100  1.0
  Sc  Sc2  1  0.82872624  0.65735291  0.75000100  1.0
  Sc  Sc3  1  0.17134594  0.82864868  0.24999900  1.0
  Sc  Sc4  1  0.65739335  0.82865511  0.24999900  1.0
  Sc  Sc5  1  0.17135820  0.34264593  0.24999900  1.0
  Al  Al6  1  0.66649432  0.33326833  0.24999900  1.0
  Al  Al7  1  0.33329104  0.66673891  0.75000100  1.0