# generated using pymatgen
data_CaTb(Al5Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82446452
_cell_length_b   6.82446525
_cell_length_c   9.08389403
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.99018216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTb(Al5Ru)4
_chemical_formula_sum   'Ca1 Tb1 Al20 Ru4'
_cell_volume   419.92246293
_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  0.87418118  0.12581882  0.75000000  1.0
  Tb  Tb1  1  0.12511442  0.87488558  0.25000000  1.0
  Al  Al2  1  0.62314511  0.37685489  0.54124066  1.0
  Al  Al3  1  0.37671630  0.62328370  0.44822802  1.0
  Al  Al4  1  0.37671630  0.62328370  0.05177198  1.0
  Al  Al5  1  0.62314511  0.37685489  0.95875934  1.0
  Al  Al6  1  0.22607881  0.22691517  0.49943245  1.0
  Al  Al7  1  0.77308483  0.77392119  0.49943245  1.0
  Al  Al8  1  0.77308483  0.77392119  0.00056755  1.0
  Al  Al9  1  0.22607881  0.22691517  0.00056755  1.0
  Al  Al10  1  0.84501988  0.15498012  0.09944524  1.0
  Al  Al11  1  0.15977483  0.84022517  0.89996408  1.0
  Al  Al12  1  0.15977483  0.84022517  0.60003592  1.0
  Al  Al13  1  0.84501988  0.15498012  0.40055476  1.0
  Al  Al14  1  0.86017080  0.59186335  0.75000000  1.0
  Al  Al15  1  0.13799545  0.41053126  0.25000000  1.0
  Al  Al16  1  0.40813665  0.13982920  0.75000000  1.0
  Al  Al17  1  0.58946874  0.86200455  0.25000000  1.0
  Al  Al18  1  0.21838752  0.47819902  0.75000000  1.0
  Al  Al19  1  0.78036240  0.51998965  0.25000000  1.0
  Al  Al20  1  0.52180098  0.78161248  0.75000000  1.0
  Al  Al21  1  0.48001035  0.21963760  0.25000000  1.0
  Ru  Ru22  1  0.99957420  0.50120770  0.49964451  1.0
  Ru  Ru23  1  0.99957420  0.50120770  0.00035549  1.0
  Ru  Ru24  1  0.49879230  0.00042580  0.00035549  1.0
  Ru  Ru25  1  0.49879230  0.00042580  0.49964451  1.0