# generated using pymatgen
data_LiTa4(TiB4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09547480
_cell_length_b   6.91298822
_cell_length_c   7.20867043
_cell_angle_alpha   93.22430896
_cell_angle_beta   102.20776108
_cell_angle_gamma   116.18195013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa4(TiB4)5
_chemical_formula_sum   'Li1 Ta4 Ti5 B20'
_cell_volume   262.52704157
_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  0.99814413  0.99903384  0.00177727  1.0
  Ta  Ta1  1  0.49934907  0.99963213  0.99995347  1.0
  Ta  Ta2  1  0.49919941  0.39855757  0.20013350  1.0
  Ta  Ta3  1  0.00129432  0.20255724  0.60049814  1.0
  Ta  Ta4  1  0.00085413  0.60210198  0.79943691  1.0
  Ti  Ti5  1  0.50075415  0.80025368  0.39959913  1.0
  Ti  Ti6  1  0.99979648  0.39744951  0.20010743  1.0
  Ti  Ti7  1  0.50002076  0.20046308  0.59979454  1.0
  Ti  Ti8  1  0.99791177  0.79785487  0.39955958  1.0
  Ti  Ti9  1  0.50125495  0.60134063  0.80018158  1.0
  B  B10  1  0.33241740  0.23298729  0.86653441  1.0
  B  B11  1  0.33338807  0.63227346  0.06934056  1.0
  B  B12  1  0.16554104  0.36367711  0.93691931  1.0
  B  B13  1  0.33003362  0.03029869  0.26849701  1.0
  B  B14  1  0.16483064  0.76620203  0.13548601  1.0
  B  B15  1  0.83430486  0.23064053  0.87034371  1.0
  B  B16  1  0.16507017  0.16469588  0.33134980  1.0
  B  B17  1  0.83473749  0.63604410  0.06543706  1.0
  B  B18  1  0.33423430  0.43385752  0.46700095  1.0
  B  B19  1  0.66723380  0.36848705  0.93101808  1.0
  B  B20  1  0.83481799  0.03202661  0.26515354  1.0
  B  B21  1  0.66922904  0.76803072  0.13208255  1.0
  B  B22  1  0.33512249  0.83657663  0.66164884  1.0
  B  B23  1  0.16896891  0.57040607  0.52899637  1.0
  B  B24  1  0.66535810  0.16361050  0.33561089  1.0
  B  B25  1  0.83364804  0.43455117  0.46451868  1.0
  B  B26  1  0.16594854  0.96779254  0.73303513  1.0
  B  B27  1  0.83274210  0.83402630  0.66801505  1.0
  B  B28  1  0.66611906  0.56850677  0.53352909  1.0
  B  B29  1  0.66767616  0.96606151  0.73443940  1.0