# generated using pymatgen
data_LiTa3(TiRu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38405806
_cell_length_b   6.19459401
_cell_length_c   13.11510539
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa3(TiRu3)2
_chemical_formula_sum   'Li2 Ta6 Ti4 Ru12'
_cell_volume   356.17294758
_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
  Li  Li0  1  0.00035560  0.00000000  0.66714983  1.0
  Li  Li1  1  0.50035460  0.50000000  0.83285017  1.0
  Ta  Ta2  1  0.99997262  0.50000000  0.99063118  1.0
  Ta  Ta3  1  0.49975042  0.00000000  0.16449935  1.0
  Ta  Ta4  1  0.99974942  0.50000000  0.33550065  1.0
  Ta  Ta5  1  0.49997362  0.00000000  0.50936882  1.0
  Ta  Ta6  1  0.00022907  0.50000000  0.67487542  1.0
  Ta  Ta7  1  0.50022707  0.00000000  0.82512358  1.0
  Ti  Ti8  1  0.99997093  0.00000000  0.99360469  1.0
  Ti  Ti9  1  0.49978514  0.50000000  0.16425569  1.0
  Ti  Ti10  1  0.99978614  0.00000000  0.33574531  1.0
  Ti  Ti11  1  0.49997193  0.50000000  0.50639531  1.0
  Ru  Ru12  1  0.49996699  0.24747512  0.00163603  1.0
  Ru  Ru13  1  0.49996699  0.75252588  0.00163603  1.0
  Ru  Ru14  1  0.99979060  0.25047503  0.16635486  1.0
  Ru  Ru15  1  0.99979060  0.74952597  0.16635486  1.0
  Ru  Ru16  1  0.49978960  0.24952497  0.33364414  1.0
  Ru  Ru17  1  0.49978960  0.75047503  0.33364414  1.0
  Ru  Ru18  1  0.99996599  0.25252388  0.49836397  1.0
  Ru  Ru19  1  0.99996599  0.74747512  0.49836397  1.0
  Ru  Ru20  1  0.50021352  0.25320963  0.66496210  1.0
  Ru  Ru21  1  0.50021352  0.74679037  0.66496210  1.0
  Ru  Ru22  1  0.00021252  0.24679037  0.83503790  1.0
  Ru  Ru23  1  0.00021252  0.75321063  0.83503790  1.0