# generated using pymatgen
data_CaLu(Al5Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81314238
_cell_length_b   6.81314270
_cell_length_c   9.06152946
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.90171532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLu(Al5Ru)4
_chemical_formula_sum   'Ca1 Lu1 Al20 Ru4'
_cell_volume   417.57836638
_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  0.87378221  0.12621779  0.75000000  1.0
  Lu  Lu1  1  0.12730696  0.87269304  0.25000000  1.0
  Al  Al2  1  0.52116636  0.78175608  0.75000000  1.0
  Al  Al3  1  0.78140903  0.52089068  0.25000000  1.0
  Al  Al4  1  0.47910932  0.21859097  0.25000000  1.0
  Al  Al5  1  0.21824392  0.47883364  0.75000000  1.0
  Al  Al6  1  0.62352622  0.37647378  0.96078622  1.0
  Al  Al7  1  0.37614740  0.62385260  0.05180391  1.0
  Al  Al8  1  0.62352622  0.37647378  0.53921378  1.0
  Al  Al9  1  0.37614740  0.62385260  0.44819609  1.0
  Al  Al10  1  0.40747998  0.14047265  0.75000000  1.0
  Al  Al11  1  0.13976520  0.41374386  0.25000000  1.0
  Al  Al12  1  0.58625614  0.86023480  0.25000000  1.0
  Al  Al13  1  0.85952735  0.59252002  0.75000000  1.0
  Al  Al14  1  0.84738390  0.15261610  0.40012122  1.0
  Al  Al15  1  0.15841689  0.84158311  0.59868392  1.0
  Al  Al16  1  0.84738390  0.15261610  0.09987878  1.0
  Al  Al17  1  0.15841689  0.84158311  0.90131608  1.0
  Al  Al18  1  0.77338491  0.77396625  0.00186081  1.0
  Al  Al19  1  0.77338491  0.77396625  0.49813919  1.0
  Al  Al20  1  0.22603375  0.22661509  0.00186081  1.0
  Al  Al21  1  0.22603375  0.22661509  0.49813919  1.0
  Ru  Ru22  1  0.49827046  0.00018977  0.00113140  1.0
  Ru  Ru23  1  0.99981023  0.50172954  0.00113140  1.0
  Ru  Ru24  1  0.49827046  0.00018977  0.49886860  1.0
  Ru  Ru25  1  0.99981023  0.50172954  0.49886860  1.0