# generated using pymatgen
data_YAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85189418
_cell_length_b   7.85189407
_cell_length_c   7.85189490
_cell_angle_alpha   46.52590792
_cell_angle_beta   46.52591143
_cell_angle_gamma   46.52590213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl3
_chemical_formula_sum   'Y3 Al9'
_cell_volume   232.79255952
_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  0.78277218  0.78277218  0.78277218  1.0
  Y  Y1  1  0.21722782  0.21722782  0.21722782  1.0
  Y  Y2  1  -0.00000000  0.00000000  -0.00000000  1.0
  Al  Al3  1  0.70092464  0.70092464  0.26729717  1.0
  Al  Al4  1  0.70092464  0.26729717  0.70092464  1.0
  Al  Al5  1  0.26729717  0.70092464  0.70092464  1.0
  Al  Al6  1  0.50000000  0.50000000  -0.00000000  1.0
  Al  Al7  1  -0.00000000  0.50000000  0.50000000  1.0
  Al  Al8  1  0.50000000  0.00000000  0.50000000  1.0
  Al  Al9  1  0.29907536  0.73270283  0.29907536  1.0
  Al  Al10  1  0.29907536  0.29907536  0.73270283  1.0
  Al  Al11  1  0.73270283  0.29907536  0.29907536  1.0