# generated using pymatgen
data_Sc(AlCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50779104
_cell_length_b   6.50779075
_cell_length_c   6.50779194
_cell_angle_alpha   135.11895371
_cell_angle_beta   99.03435686
_cell_angle_gamma   97.72392688
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(AlCu)6
_chemical_formula_sum   'Sc1 Al6 Cu6'
_cell_volume   179.74053712
_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  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.34555826  0.34555826  0.00000000  1.0
  Al  Al2  1  0.65444174  0.65444174  1.00000000  1.0
  Al  Al3  1  0.65691378  0.00000000  0.65691378  1.0
  Al  Al4  1  0.34308622  1.00000000  0.34308622  1.0
  Al  Al5  1  0.80594299  0.30594299  0.50000000  1.0
  Al  Al6  1  0.19405701  0.69405701  0.50000000  1.0
  Cu  Cu7  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu8  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu10  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu11  1  0.23056068  0.50000000  0.73056068  1.0
  Cu  Cu12  1  0.76943932  0.50000000  0.26943932  1.0