# generated using pymatgen
data_LiTa6Ti5Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39341537
_cell_length_b   6.20585396
_cell_length_c   13.17477753
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00121807
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa6Ti5Ru12
_chemical_formula_sum   'Li1 Ta6 Ti5 Ru12'
_cell_volume   359.20891539
_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
  Li  Li0  1  0.50042786  0.50000000  0.83333658  1.0
  Ta  Ta1  1  0.99995892  0.50000000  0.99370838  1.0
  Ta  Ta2  1  0.49981369  0.00000000  0.16447449  1.0
  Ta  Ta3  1  0.99984860  0.50000000  0.33335873  1.0
  Ta  Ta4  1  0.50000673  0.00000000  0.50220698  1.0
  Ta  Ta5  1  0.00017706  0.50000000  0.67294520  1.0
  Ta  Ta6  1  0.50011576  0.00000000  0.83331290  1.0
  Ti  Ti7  1  0.99997376  0.00000000  0.99700006  1.0
  Ti  Ti8  1  0.49978026  0.50000000  0.16494376  1.0
  Ti  Ti9  1  0.99978446  0.00000000  0.33335727  1.0
  Ti  Ti10  1  0.49999294  0.50000000  0.50174197  1.0
  Ti  Ti11  1  0.00020547  0.00000000  0.66963311  1.0
  Ru  Ru12  1  0.49996838  0.24979021  0.00071051  1.0
  Ru  Ru13  1  0.49996838  0.75021079  0.00071051  1.0
  Ru  Ru14  1  0.99979192  0.25063118  0.16608295  1.0
  Ru  Ru15  1  0.99979192  0.74936982  0.16608295  1.0
  Ru  Ru16  1  0.49979546  0.25008738  0.33335481  1.0
  Ru  Ru17  1  0.49979546  0.74991262  0.33335481  1.0
  Ru  Ru18  1  0.00000141  0.25062278  0.50060976  1.0
  Ru  Ru19  1  0.00000141  0.74937622  0.50060976  1.0
  Ru  Ru20  1  0.50019828  0.24980727  0.66592855  1.0
  Ru  Ru21  1  0.50019828  0.75019273  0.66592855  1.0
  Ru  Ru22  1  0.00020229  0.24932162  0.83330272  1.0
  Ru  Ru23  1  0.00020229  0.75067938  0.83330272  1.0