# generated using pymatgen
data_YAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26584768
_cell_length_b   6.26584869
_cell_length_c   4.59464322
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00008154
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl3
_chemical_formula_sum   'Y2 Al6'
_cell_volume   156.22186006
_cell_formula_units_Z   2
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  0.75000000  1.0
  Y  Y1  1  0.66666800  0.33333300  0.25000000  1.0
  Al  Al2  1  0.14520738  0.29041476  0.25000000  1.0
  Al  Al3  1  0.70958624  0.85479262  0.25000000  1.0
  Al  Al4  1  0.14520738  0.85479262  0.25000000  1.0
  Al  Al5  1  0.85479462  0.70958524  0.75000000  1.0
  Al  Al6  1  0.29041576  0.14520838  0.75000000  1.0
  Al  Al7  1  0.85479362  0.14520838  0.75000000  1.0