# generated using pymatgen
data_Zr2Sc(AlCu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56917835
_cell_length_b   6.63627317
_cell_length_c   3.94903516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.33843508
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Sc(AlCu)3
_chemical_formula_sum   'Zr2 Sc1 Al3 Cu3'
_cell_volume   148.58184349
_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
  Zr  Zr0  1  0.58229767  0.58305069  0.50000000  1.0
  Zr  Zr1  1  0.41770233  0.00075202  0.50000000  1.0
  Sc  Sc2  1  0.00000000  0.41647503  0.50000000  1.0
  Al  Al3  1  1.00000000  0.75757756  0.00000000  1.0
  Al  Al4  1  0.24857181  0.24460844  0.00000000  1.0
  Al  Al5  1  0.75142819  0.99603663  0.00000000  1.0
  Cu  Cu6  1  0.00000000  0.00418067  0.50000000  1.0
  Cu  Cu7  1  0.33180569  0.66456332  0.00000000  1.0
  Cu  Cu8  1  0.66819431  0.33275663  0.00000000  1.0