# generated using pymatgen
data_CaYb3Al8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77811641
_cell_length_b   9.77811626
_cell_length_c   9.77811613
_cell_angle_alpha   33.18730714
_cell_angle_beta   33.18731102
_cell_angle_gamma   33.18730209
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb3Al8
_chemical_formula_sum   'Ca1 Yb3 Al8'
_cell_volume   249.35611064
_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
  Ca  Ca0  1  0.06284875  0.06284875  0.06284875  1.0
  Yb  Yb1  1  0.56301450  0.56301450  0.56301450  1.0
  Yb  Yb2  1  0.43741954  0.43741954  0.43741954  1.0
  Yb  Yb3  1  0.93670264  0.93670264  0.93670264  1.0
  Al  Al4  1  0.75010386  0.75010386  0.75010386  1.0
  Al  Al5  1  0.25001242  0.25001242  0.25001242  1.0
  Al  Al6  1  0.99973235  0.49979560  0.49979560  1.0
  Al  Al7  1  0.50073810  0.99991682  0.99991682  1.0
  Al  Al8  1  0.49979560  0.99973235  0.49979560  1.0
  Al  Al9  1  0.99991682  0.50073810  0.99991682  1.0
  Al  Al10  1  0.49979560  0.49979560  0.99973235  1.0
  Al  Al11  1  0.99991682  0.99991682  0.50073810  1.0