# generated using pymatgen
data_LiTa3(NbRu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43404458
_cell_length_b   6.18489493
_cell_length_c   13.42351817
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99901012
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa3(NbRu3)2
_chemical_formula_sum   'Li2 Ta6 Nb4 Ru12'
_cell_volume   368.12790244
_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  0.00001862  0.50000000  0.66835616  1.0
  Li  Li1  1  0.50000351  0.00000000  0.83161540  1.0
  Ta  Ta2  1  0.99999882  0.00000000  0.98680251  1.0
  Ta  Ta3  1  0.49997000  0.50000000  0.16694519  1.0
  Ta  Ta4  1  0.99999512  0.00000000  0.33311682  1.0
  Ta  Ta5  1  0.49999926  0.50000000  0.51318704  1.0
  Ta  Ta6  1  0.00001288  0.00000000  0.67579204  1.0
  Ta  Ta7  1  0.50001289  0.50000000  0.82415028  1.0
  Nb  Nb8  1  0.99999598  0.50000000  0.99193789  1.0
  Nb  Nb9  1  0.50000087  0.00000000  0.16878114  1.0
  Nb  Nb10  1  0.99999466  0.50000000  0.33128830  1.0
  Nb  Nb11  1  0.50000562  0.00000000  0.50805696  1.0
  Ru  Ru12  1  0.49999457  0.25024457  0.99690838  1.0
  Ru  Ru13  1  0.49999457  0.74975443  0.99690838  1.0
  Ru  Ru14  1  0.99997789  0.24978718  0.15450035  1.0
  Ru  Ru15  1  0.99997789  0.75021282  0.15450035  1.0
  Ru  Ru16  1  0.49999637  0.25021525  0.34557682  1.0
  Ru  Ru17  1  0.49999637  0.74978475  0.34557682  1.0
  Ru  Ru18  1  0.00000278  0.24975254  0.50308833  1.0
  Ru  Ru19  1  0.00000278  0.75024646  0.50308833  1.0
  Ru  Ru20  1  0.50001292  0.24905168  0.66811158  1.0
  Ru  Ru21  1  0.50001292  0.75094832  0.66811158  1.0
  Ru  Ru22  1  0.00001236  0.25094186  0.83179718  1.0
  Ru  Ru23  1  0.00001236  0.74905814  0.83179718  1.0