# generated using pymatgen
data_CaCe(Al5Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83469269
_cell_length_b   6.83071570
_cell_length_c   9.11569007
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.06628289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCe(Al5Ru)4
_chemical_formula_sum   'Ca1 Ce1 Al20 Ru4'
_cell_volume   422.34122851
_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  0.87494800  0.12486897  0.75000000  1.0
  Ce  Ce1  1  0.12289474  0.87790273  0.25000000  1.0
  Al  Al2  1  0.59382273  0.86405653  0.25000000  1.0
  Al  Al3  1  0.77902732  0.51943487  0.25000000  1.0
  Al  Al4  1  0.16142160  0.83849536  0.89831937  1.0
  Al  Al5  1  0.41011837  0.13967638  0.75000000  1.0
  Al  Al6  1  0.62301961  0.37692006  0.95586031  1.0
  Al  Al7  1  0.84219245  0.15775057  0.40102913  1.0
  Al  Al8  1  0.77204670  0.77366795  0.99867464  1.0
  Al  Al9  1  0.86059227  0.58988057  0.75000000  1.0
  Al  Al10  1  0.84219245  0.15775057  0.09897087  1.0
  Al  Al11  1  0.21894933  0.47838125  0.75000000  1.0
  Al  Al12  1  0.16142160  0.83849536  0.60168063  1.0
  Al  Al13  1  0.77204670  0.77366795  0.50132536  1.0
  Al  Al14  1  0.48053933  0.22118150  0.25000000  1.0
  Al  Al15  1  0.62301961  0.37692006  0.54413969  1.0
  Al  Al16  1  0.22621734  0.22782606  0.50101776  1.0
  Al  Al17  1  0.37771991  0.62215795  0.44699998  1.0
  Al  Al18  1  0.13619086  0.40625470  0.25000000  1.0
  Al  Al19  1  0.52154586  0.78122298  0.75000000  1.0
  Al  Al20  1  0.37771991  0.62215795  0.05300002  1.0
  Al  Al21  1  0.22621734  0.22782606  0.99898224  1.0
  Ru  Ru22  1  0.49823616  0.00005512  0.00047492  1.0
  Ru  Ru23  1  0.49823616  0.00005512  0.49952508  1.0
  Ru  Ru24  1  0.99983232  0.50169619  0.00050920  1.0
  Ru  Ru25  1  0.99983232  0.50169619  0.49949080  1.0