# generated using pymatgen
data_LiTa2(SiRu2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25507825
_cell_length_b   6.02573619
_cell_length_c   12.68396130
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00003425
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2(SiRu2)3
_chemical_formula_sum   'Li2 Ta4 Si6 Ru12'
_cell_volume   325.21650106
_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  0.00010888  0.00000000  0.66588432  1.0
  Li  Li1  1  0.50009785  0.50000000  0.83394187  1.0
  Ta  Ta2  1  0.99999191  0.00000000  0.98846833  1.0
  Ta  Ta3  1  0.49994035  0.50000000  0.16379198  1.0
  Ta  Ta4  1  0.99993462  0.00000000  0.33625600  1.0
  Ta  Ta5  1  0.49999249  0.50000000  0.51157361  1.0
  Si  Si6  1  0.00000265  0.50000000  0.97980862  1.0
  Si  Si7  1  0.49994482  0.00000000  0.16007795  1.0
  Si  Si8  1  0.99993701  0.50000000  0.33999745  1.0
  Si  Si9  1  0.50000501  0.00000000  0.52009770  1.0
  Si  Si10  1  0.00004201  0.50000000  0.67312213  1.0
  Si  Si11  1  0.50003227  0.00000000  0.82685615  1.0
  Ru  Ru12  1  0.49999441  0.25049604  0.99991426  1.0
  Ru  Ru13  1  0.49999441  0.74950296  0.99991426  1.0
  Ru  Ru14  1  0.99995927  0.24976121  0.16640682  1.0
  Ru  Ru15  1  0.99995927  0.75023979  0.16640682  1.0
  Ru  Ru16  1  0.49994718  0.25023743  0.33364436  1.0
  Ru  Ru17  1  0.49994718  0.74976457  0.33364436  1.0
  Ru  Ru18  1  0.99999676  0.24951481  0.50013430  1.0
  Ru  Ru19  1  0.99999676  0.75048619  0.50013430  1.0
  Ru  Ru20  1  0.50004827  0.24917706  0.67091950  1.0
  Ru  Ru21  1  0.50004827  0.75082494  0.67091950  1.0
  Ru  Ru22  1  0.00004067  0.25072707  0.82904170  1.0
  Ru  Ru23  1  0.00004067  0.74927393  0.82904170  1.0