# generated using pymatgen
data_YScAlB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51185604
_cell_length_b   9.04785317
_cell_length_c   11.41693637
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScAlB6
_chemical_formula_sum   'Y4 Sc4 Al4 B24'
_cell_volume   362.77038859
_cell_formula_units_Z   4
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  0.82042038  0.08615356  1.0
  Y  Y1  1  0.00000000  0.17957962  0.91384644  1.0
  Y  Y2  1  0.00000000  0.32042038  0.41384644  1.0
  Y  Y3  1  0.00000000  0.67957962  0.58615356  1.0
  Sc  Sc4  1  0.00000000  0.44475721  0.12792811  1.0
  Sc  Sc5  1  0.00000000  0.55524279  0.87207189  1.0
  Sc  Sc6  1  0.00000000  0.94475721  0.37207189  1.0
  Sc  Sc7  1  0.00000000  0.05524279  0.62792811  1.0
  Al  Al8  1  0.00000000  0.14197268  0.18166082  1.0
  Al  Al9  1  0.00000000  0.85802732  0.81833918  1.0
  Al  Al10  1  0.00000000  0.64197268  0.31833918  1.0
  Al  Al11  1  0.00000000  0.35802732  0.68166082  1.0
  B  B12  1  0.50000000  0.05189722  0.06513967  1.0
  B  B13  1  0.50000000  0.94810278  0.93486033  1.0
  B  B14  1  0.50000000  0.55189722  0.43486033  1.0
  B  B15  1  0.50000000  0.44810278  0.56513967  1.0
  B  B16  1  0.50000000  0.25515563  0.08109654  1.0
  B  B17  1  0.50000000  0.74484437  0.91890346  1.0
  B  B18  1  0.50000000  0.75515563  0.41890346  1.0
  B  B19  1  0.50000000  0.24484437  0.58109654  1.0
  B  B20  1  0.50000000  0.29833814  0.23627436  1.0
  B  B21  1  0.50000000  0.70166186  0.76372564  1.0
  B  B22  1  0.50000000  0.79833814  0.26372564  1.0
  B  B23  1  0.50000000  0.20166186  0.73627436  1.0
  B  B24  1  0.50000000  0.12934838  0.31867122  1.0
  B  B25  1  0.50000000  0.87065162  0.68132878  1.0
  B  B26  1  0.50000000  0.62934838  0.18132878  1.0
  B  B27  1  0.50000000  0.37065162  0.81867122  1.0
  B  B28  1  0.50000000  0.47948905  0.28570918  1.0
  B  B29  1  0.50000000  0.52051095  0.71429082  1.0
  B  B30  1  0.50000000  0.97948905  0.21429082  1.0
  B  B31  1  0.50000000  0.02051095  0.78570918  1.0
  B  B32  1  0.50000000  0.09782246  0.47335023  1.0
  B  B33  1  0.50000000  0.90217754  0.52664977  1.0
  B  B34  1  0.50000000  0.59782246  0.02664977  1.0
  B  B35  1  0.50000000  0.40217754  0.97335023  1.0