# generated using pymatgen
data_Ti2Al3MoRu6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29618730
_cell_length_b   6.06412626
_cell_length_c   12.86272177
_cell_angle_alpha   90.00139192
_cell_angle_beta   90.00099545
_cell_angle_gamma   90.00107647
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Al3MoRu6
_chemical_formula_sum   'Ti4 Al6 Mo2 Ru12'
_cell_volume   335.10763052
_cell_formula_units_Z   2
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
  Ti  Ti0  1  0.99991203  0.49998410  0.33684803  1.0
  Ti  Ti1  1  0.50000281  0.00000869  0.50176519  1.0
  Ti  Ti2  1  0.00008436  0.49999034  0.66515378  1.0
  Ti  Ti3  1  0.50010466  0.00001518  0.82984095  1.0
  Al  Al4  1  0.00001558  0.00000404  0.99859660  1.0
  Al  Al5  1  0.49987817  0.49999720  0.16791825  1.0
  Al  Al6  1  0.99988461  0.00000254  0.33603929  1.0
  Al  Al7  1  0.49999902  0.49999006  0.50087750  1.0
  Al  Al8  1  0.00011418  0.00001013  0.66598341  1.0
  Al  Al9  1  0.50006732  0.49999559  0.83067363  1.0
  Mo  Mo10  1  0.00001001  0.49998750  0.99623222  1.0
  Mo  Mo11  1  0.49990477  0.00001222  0.17018792  1.0
  Ru  Ru12  1  0.50000365  0.25182826  0.00141627  1.0
  Ru  Ru13  1  0.50001981  0.74817395  0.00141573  1.0
  Ru  Ru14  1  0.99991984  0.24836396  0.16494699  1.0
  Ru  Ru15  1  0.99989594  0.75163323  0.16494738  1.0
  Ru  Ru16  1  0.49989929  0.24925417  0.33124467  1.0
  Ru  Ru17  1  0.49992683  0.75074564  0.33124173  1.0
  Ru  Ru18  1  0.99988992  0.25073704  0.49959544  1.0
  Ru  Ru19  1  0.00011353  0.74926090  0.49959640  1.0
  Ru  Ru20  1  0.50019909  0.24948243  0.66731921  1.0
  Ru  Ru21  1  0.49999053  0.75051286  0.66731995  1.0
  Ru  Ru22  1  0.00009866  0.25080250  0.83541870  1.0
  Ru  Ru23  1  0.00006640  0.74920146  0.83542077  1.0