# generated using pymatgen
data_CeAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16573773
_cell_length_b   7.16635197
_cell_length_c   4.10989494
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99842467
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeAlCu
_chemical_formula_sum   'Ce3 Al3 Cu3'
_cell_volume   182.77941739
_cell_formula_units_Z   3
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
  Ce  Ce0  1  0.42478615  0.42474623  0.50000000  1.0
  Ce  Ce1  1  0.57519773  -0.00002421  0.50000000  1.0
  Ce  Ce2  1  0.00002798  0.57527081  0.50000000  1.0
  Al  Al3  1  0.77358381  0.77361638  0.00000000  1.0
  Al  Al4  1  0.22639359  0.00002135  0.00000000  1.0
  Al  Al5  1  -0.00001324  0.22643123  -0.00000000  1.0
  Cu  Cu6  1  0.66672500  0.33333442  -0.00000000  1.0
  Cu  Cu7  1  0.33330277  0.66665157  -0.00000000  1.0
  Cu  Cu8  1  -0.00000278  -0.00004677  0.50000000  1.0