# generated using pymatgen
data_CaYb(Al5Os)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83222629
_cell_length_b   6.83222550
_cell_length_c   9.10391735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.85726770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb(Al5Os)4
_chemical_formula_sum   'Ca1 Yb1 Al20 Os4'
_cell_volume   421.92467270
_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  0.62609568  0.37390432  0.75000000  1.0
  Yb  Yb1  1  0.37352203  0.62647797  0.25000000  1.0
  Al  Al2  1  0.28254785  0.02264469  0.75000000  1.0
  Al  Al3  1  0.02329993  0.28353943  0.25000000  1.0
  Al  Al4  1  0.71646057  0.97670007  0.25000000  1.0
  Al  Al5  1  0.97735531  0.71745215  0.75000000  1.0
  Al  Al6  1  0.87674058  0.12325942  0.95923674  1.0
  Al  Al7  1  0.12349023  0.87650977  0.04259572  1.0
  Al  Al8  1  0.87674058  0.12325942  0.54076326  1.0
  Al  Al9  1  0.12349023  0.87650977  0.45740428  1.0
  Al  Al10  1  0.64026154  0.90802134  0.75000000  1.0
  Al  Al11  1  0.90925579  0.64089931  0.25000000  1.0
  Al  Al12  1  0.35910069  0.09074421  0.25000000  1.0
  Al  Al13  1  0.09197866  0.35973846  0.75000000  1.0
  Al  Al14  1  0.34397917  0.65602083  0.90101713  1.0
  Al  Al15  1  0.65548684  0.34451316  0.09985005  1.0
  Al  Al16  1  0.34397917  0.65602083  0.59898287  1.0
  Al  Al17  1  0.65548684  0.34451316  0.40014995  1.0
  Al  Al18  1  0.72425388  0.72427383  0.00067811  1.0
  Al  Al19  1  0.72425388  0.72427383  0.49932189  1.0
  Al  Al20  1  0.27572617  0.27574612  0.00067811  1.0
  Al  Al21  1  0.27572617  0.27574612  0.49932189  1.0
  Os  Os22  1  0.49980323  0.99941812  0.00038299  1.0
  Os  Os23  1  0.00058188  0.50019677  0.00038299  1.0
  Os  Os24  1  0.49980323  0.99941812  0.49961701  1.0
  Os  Os25  1  0.00058188  0.50019677  0.49961701  1.0