# generated using pymatgen
data_Ta5Al(GaRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34142093
_cell_length_b   6.13310375
_cell_length_c   12.98162540
_cell_angle_alpha   90.00019753
_cell_angle_beta   90.00023944
_cell_angle_gamma   90.00009525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Al(GaRu2)6
_chemical_formula_sum   'Ta5 Al1 Ga6 Ru12'
_cell_volume   345.65375592
_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
  Ta  Ta0  1  0.49994838  0.50000229  0.16191224  1.0
  Ta  Ta1  1  0.99996851  0.99998861  0.33117650  1.0
  Ta  Ta2  1  0.50000468  0.49999986  0.49999847  1.0
  Ta  Ta3  1  0.00002801  0.99999442  0.66882384  1.0
  Ta  Ta4  1  0.50004412  0.50000740  0.83809214  1.0
  Al  Al5  1  0.00000090  0.99999989  0.99999876  1.0
  Ga  Ga6  1  0.00000833  0.50000990  0.99999864  1.0
  Ga  Ga7  1  0.49995388  0.99999983  0.16715558  1.0
  Ga  Ga8  1  0.99997157  0.49999599  0.32985621  1.0
  Ga  Ga9  1  0.50001547  0.99999439  0.49999901  1.0
  Ga  Ga10  1  0.00002703  0.50000026  0.67014106  1.0
  Ga  Ga11  1  0.50003493  0.00000813  0.83284685  1.0
  Ru  Ru12  1  0.49999887  0.24211442  0.99999950  1.0
  Ru  Ru13  1  0.49999965  0.75789026  0.99999829  1.0
  Ru  Ru14  1  0.99994801  0.24657301  0.16400982  1.0
  Ru  Ru15  1  0.99995024  0.75342657  0.16401035  1.0
  Ru  Ru16  1  0.49997696  0.25062410  0.33279418  1.0
  Ru  Ru17  1  0.49996996  0.74936944  0.33279459  1.0
  Ru  Ru18  1  0.99999816  0.25051183  0.49999919  1.0
  Ru  Ru19  1  0.00001152  0.74948022  0.49999935  1.0
  Ru  Ru20  1  0.50002874  0.25062603  0.66720668  1.0
  Ru  Ru21  1  0.50002299  0.74937136  0.66720667  1.0
  Ru  Ru22  1  0.00003614  0.24658078  0.83598878  1.0
  Ru  Ru23  1  0.00004199  0.75342897  0.83598929  1.0