# generated using pymatgen
data_LiTa3(Ti3B10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08074982
_cell_length_b   6.89942155
_cell_length_c   7.19003231
_cell_angle_alpha   93.18172273
_cell_angle_beta   102.21857259
_cell_angle_gamma   116.17429629
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa3(Ti3B10)2
_chemical_formula_sum   'Li1 Ta3 Ti6 B20'
_cell_volume   260.74547974
_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  0.99963914  0.99981380  0.00375782  1.0
  Ta  Ta1  1  0.49955054  0.99958720  0.99993446  1.0
  Ta  Ta2  1  0.00135274  0.20211248  0.59985102  1.0
  Ta  Ta3  1  0.00035865  0.60181355  0.79930546  1.0
  Ti  Ti4  1  0.50011731  0.79971904  0.39892225  1.0
  Ti  Ti5  1  0.99949118  0.39757869  0.20028436  1.0
  Ti  Ti6  1  0.50017489  0.20064865  0.60020939  1.0
  Ti  Ti7  1  0.99896878  0.79913113  0.40032392  1.0
  Ti  Ti8  1  0.50143389  0.60185346  0.80033554  1.0
  Ti  Ti9  1  0.49894107  0.39820082  0.19957561  1.0
  B  B10  1  0.33324918  0.23385767  0.86861042  1.0
  B  B11  1  0.33404004  0.63077083  0.07085464  1.0
  B  B12  1  0.16770624  0.36394541  0.93893699  1.0
  B  B13  1  0.33109362  0.03248489  0.26736893  1.0
  B  B14  1  0.16502590  0.76601517  0.13561057  1.0
  B  B15  1  0.83462683  0.23138030  0.87039829  1.0
  B  B16  1  0.16649313  0.16610180  0.33012839  1.0
  B  B17  1  0.83284019  0.63399600  0.06703474  1.0
  B  B18  1  0.33453601  0.43398600  0.46441495  1.0
  B  B19  1  0.66645501  0.36790653  0.93343120  1.0
  B  B20  1  0.83465505  0.03230878  0.26474169  1.0
  B  B21  1  0.66796046  0.76545180  0.13391110  1.0
  B  B22  1  0.33479577  0.83654565  0.66118705  1.0
  B  B23  1  0.16855483  0.56951108  0.52892754  1.0
  B  B24  1  0.66469798  0.16520088  0.33400601  1.0
  B  B25  1  0.83152974  0.43492910  0.46159423  1.0
  B  B26  1  0.16613155  0.96793156  0.73355006  1.0
  B  B27  1  0.83256341  0.83357922  0.66769320  1.0
  B  B28  1  0.66526359  0.56768874  0.53061394  1.0
  B  B29  1  0.66775128  0.96595078  0.73448724  1.0