# generated using pymatgen
data_YScAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.49422928
_cell_length_b   12.49422928
_cell_length_c   12.49422928
_cell_angle_alpha   125.94794391
_cell_angle_beta   119.95966384
_cell_angle_gamma   85.04115446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScAl2
_chemical_formula_sum   'Y1 Sc1 Al2'
_cell_volume   1307.20813800
_cell_formula_units_Z   1
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  0.00000000  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al2  1  0.00000000  0.24113000  0.24113000  1.0
  Al  Al3  1  0.00000000  0.75887000  0.75887000  1.0