# generated using pymatgen
data_YAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16507751
_cell_length_b   7.16507751
_cell_length_c   4.59953100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlCu
_chemical_formula_sum   'Y3 Al3 Cu3'
_cell_volume   204.49655082
_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
  Y  Y0  1  0.33333300  0.66666700  0.50000000  1.0
  Y  Y1  1  0.66666700  0.33333300  0.50000000  1.0
  Y  Y2  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al3  1  0.22762200  0.00000000  0.50000000  1.0
  Al  Al4  1  0.00000000  0.22762200  0.50000000  1.0
  Al  Al5  1  0.77237800  0.77237800  0.50000000  1.0
  Cu  Cu6  1  0.40086500  0.00000000  0.00000000  1.0
  Cu  Cu7  1  0.00000000  0.40086500  0.00000000  1.0
  Cu  Cu8  1  0.59913500  0.59913500  0.00000000  1.0