# generated using pymatgen
data_LiTi2Nb7B20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16106203
_cell_length_b   6.99218335
_cell_length_c   7.31964616
_cell_angle_alpha   93.45672550
_cell_angle_beta   102.17190688
_cell_angle_gamma   116.08012778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2Nb7B20
_chemical_formula_sum   'Li1 Ti2 Nb7 B20'
_cell_volume   272.61640363
_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  0.99748181  0.99932942  0.00093494  1.0
  Ti  Ti1  1  0.49907716  0.79986905  0.39941313  1.0
  Ti  Ti2  1  0.00050521  0.39797930  0.20000269  1.0
  Nb  Nb3  1  0.50023698  0.00049024  0.99904047  1.0
  Nb  Nb4  1  0.50163417  0.20055582  0.59975122  1.0
  Nb  Nb5  1  0.99886642  0.79708330  0.39938892  1.0
  Nb  Nb6  1  0.50126435  0.59954783  0.80029407  1.0
  Nb  Nb7  1  0.49824277  0.39920489  0.19982458  1.0
  Nb  Nb8  1  0.00139274  0.20367410  0.60170540  1.0
  Nb  Nb9  1  0.99978424  0.60282564  0.79939816  1.0
  B  B10  1  0.32930311  0.22975446  0.87028361  1.0
  B  B11  1  0.33198825  0.63199415  0.07209681  1.0
  B  B12  1  0.16393532  0.36242739  0.93959392  1.0
  B  B13  1  0.33057371  0.03102004  0.26560098  1.0
  B  B14  1  0.16622432  0.76602304  0.13447490  1.0
  B  B15  1  0.83683848  0.23018214  0.87343881  1.0
  B  B16  1  0.16355870  0.16634525  0.32658802  1.0
  B  B17  1  0.83640678  0.63624235  0.06586510  1.0
  B  B18  1  0.33152053  0.43582214  0.45996579  1.0
  B  B19  1  0.67017669  0.36676393  0.93639121  1.0
  B  B20  1  0.83442988  0.03391675  0.26367736  1.0
  B  B21  1  0.66901583  0.76918376  0.13318947  1.0
  B  B22  1  0.33537721  0.83503852  0.66315920  1.0
  B  B23  1  0.16894460  0.56880947  0.52728946  1.0
  B  B24  1  0.66670421  0.16373519  0.33285902  1.0
  B  B25  1  0.83387166  0.43271373  0.46309709  1.0
  B  B26  1  0.16452381  0.96720766  0.73763238  1.0
  B  B27  1  0.83276008  0.83546290  0.66835375  1.0
  B  B28  1  0.66565975  0.56959234  0.53225745  1.0
  B  B29  1  0.66970325  0.96720621  0.73443109  1.0