# generated using pymatgen
data_CaY(Al5Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82376565
_cell_length_b   6.82376557
_cell_length_c   9.07929834
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.97448812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY(Al5Ru)4
_chemical_formula_sum   'Ca1 Y1 Al20 Ru4'
_cell_volume   419.63808653
_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  0.87411550  0.12588450  0.75000000  1.0
  Y  Y1  1  0.12548188  0.87451812  0.25000000  1.0
  Al  Al2  1  0.62323114  0.37676886  0.54104815  1.0
  Al  Al3  1  0.37669595  0.62330405  0.44859974  1.0
  Al  Al4  1  0.37669595  0.62330405  0.05140026  1.0
  Al  Al5  1  0.62323114  0.37676886  0.95895185  1.0
  Al  Al6  1  0.22603104  0.22685593  0.49935742  1.0
  Al  Al7  1  0.77314407  0.77396896  0.49935742  1.0
  Al  Al8  1  0.77314407  0.77396896  0.00064258  1.0
  Al  Al9  1  0.22603104  0.22685593  0.00064258  1.0
  Al  Al10  1  0.84509185  0.15490815  0.09947519  1.0
  Al  Al11  1  0.15969888  0.84030112  0.89992505  1.0
  Al  Al12  1  0.15969888  0.84030112  0.60007495  1.0
  Al  Al13  1  0.84509185  0.15490815  0.40052481  1.0
  Al  Al14  1  0.85993144  0.59162023  0.75000000  1.0
  Al  Al15  1  0.13832523  0.41105862  0.25000000  1.0
  Al  Al16  1  0.40837977  0.14006856  0.75000000  1.0
  Al  Al17  1  0.58894138  0.86167477  0.25000000  1.0
  Al  Al18  1  0.21821867  0.47833055  0.75000000  1.0
  Al  Al19  1  0.78050278  0.51991316  0.25000000  1.0
  Al  Al20  1  0.52166945  0.78178133  0.75000000  1.0
  Al  Al21  1  0.48008684  0.21949722  0.25000000  1.0
  Ru  Ru22  1  0.99962367  0.50134406  0.49944720  1.0
  Ru  Ru23  1  0.99962367  0.50134406  0.00055280  1.0
  Ru  Ru24  1  0.49865594  0.00037633  0.00055280  1.0
  Ru  Ru25  1  0.49865594  0.00037633  0.49944720  1.0