# generated using pymatgen
data_Sc2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89261207
_cell_length_b   4.89261073
_cell_length_c   6.16142057
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Al
_chemical_formula_sum   'Sc4 Al2'
_cell_volume   127.72998499
_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  0.00000100  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.49999900  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.74996332  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.25003668  1.0
  Al  Al4  1  0.33333300  0.66666700  0.24999578  1.0
  Al  Al5  1  0.66666700  0.33333300  0.75000422  1.0