# generated using pymatgen
data_YAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00408950
_cell_length_b   4.33716413
_cell_length_c   6.08382191
_cell_angle_alpha   90.00000000
_cell_angle_beta   109.21274872
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl
_chemical_formula_sum   'Y2 Al2'
_cell_volume   99.76944931
_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  0.85114967  0.25000000  0.70229934  1.0
  Y  Y1  1  0.14885033  0.75000000  0.29770066  1.0
  Al  Al2  1  0.56818637  0.25000000  0.13637074  1.0
  Al  Al3  1  0.43181363  0.75000000  0.86362926  1.0