# generated using pymatgen
data_ZrTa5(AlRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36429047
_cell_length_b   6.17034621
_cell_length_c   13.09505543
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00003492
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa5(AlRu2)6
_chemical_formula_sum   'Zr1 Ta5 Al6 Ru12'
_cell_volume   352.63914655
_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
  Zr  Zr0  1  0.50000066  0.00000000  0.83330976  1.0
  Ta  Ta1  1  0.00000281  0.50000100  0.00038114  1.0
  Ta  Ta2  1  0.49999401  0.00000000  0.16700819  1.0
  Ta  Ta3  1  0.00000392  0.50000100  0.33333515  1.0
  Ta  Ta4  1  0.50000283  0.00000000  0.49971110  1.0
  Ta  Ta5  1  0.00000484  0.50000100  0.66626864  1.0
  Al  Al6  1  0.99999832  0.00000000  0.00066646  1.0
  Al  Al7  1  0.49999280  0.50000100  0.16754124  1.0
  Al  Al8  1  0.99999688  0.00000000  0.33336516  1.0
  Al  Al9  1  0.50000238  0.50000100  0.49916417  1.0
  Al  Al10  1  0.99999859  0.00000000  0.66591384  1.0
  Al  Al11  1  0.50000274  0.50000100  0.83336825  1.0
  Ru  Ru12  1  0.49999788  0.25304704  0.00394109  1.0
  Ru  Ru13  1  0.49999788  0.74695196  0.00394109  1.0
  Ru  Ru14  1  0.99999563  0.24956720  0.16806310  1.0
  Ru  Ru15  1  0.99999563  0.75043280  0.16806310  1.0
  Ru  Ru16  1  0.49999791  0.25026126  0.33333744  1.0
  Ru  Ru17  1  0.49999791  0.74973874  0.33333744  1.0
  Ru  Ru18  1  0.00000228  0.24959946  0.49860601  1.0
  Ru  Ru19  1  0.00000228  0.75040054  0.49860601  1.0
  Ru  Ru20  1  0.50000297  0.25305930  0.66272223  1.0
  Ru  Ru21  1  0.50000297  0.74694070  0.66272223  1.0
  Ru  Ru22  1  0.00000144  0.25722070  0.83331408  1.0
  Ru  Ru23  1  0.00000144  0.74277930  0.83331408  1.0