# generated using pymatgen
data_LiNb9B20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19306776
_cell_length_b   7.03750164
_cell_length_c   7.36081850
_cell_angle_alpha   93.52316455
_cell_angle_beta   102.13812252
_cell_angle_gamma   116.10601493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb9B20
_chemical_formula_sum   'Li1 Nb9 B20'
_cell_volume   277.27676026
_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  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb2  1  0.49888584  0.79999655  0.39972070  1.0
  Nb  Nb3  1  0.00066793  0.39794257  0.19994797  1.0
  Nb  Nb4  1  0.50111416  0.20000345  0.60027930  1.0
  Nb  Nb5  1  0.99918466  0.79498283  0.39840586  1.0
  Nb  Nb6  1  0.50254901  0.60064682  0.80060944  1.0
  Nb  Nb7  1  0.49745099  0.39935318  0.19939056  1.0
  Nb  Nb8  1  0.00081534  0.20501717  0.60159414  1.0
  Nb  Nb9  1  0.99933207  0.60205743  0.80005203  1.0
  B  B10  1  0.32890461  0.22955345  0.86941028  1.0
  B  B11  1  0.33333540  0.63334169  0.06657526  1.0
  B  B12  1  0.16461190  0.36187726  0.93608761  1.0
  B  B13  1  0.32858331  0.03286047  0.26233072  1.0
  B  B14  1  0.16500974  0.77034883  0.13027550  1.0
  B  B15  1  0.83499026  0.22965117  0.86972450  1.0
  B  B16  1  0.16491033  0.16463370  0.32867255  1.0
  B  B17  1  0.83538810  0.63812274  0.06391239  1.0
  B  B18  1  0.33265286  0.43217188  0.46531878  1.0
  B  B19  1  0.66666460  0.36665831  0.93342474  1.0
  B  B20  1  0.83495662  0.03276328  0.26267035  1.0
  B  B21  1  0.67109539  0.77044655  0.13058972  1.0
  B  B22  1  0.33442530  0.83503527  0.66773535  1.0
  B  B23  1  0.16768182  0.56758339  0.53335108  1.0
  B  B24  1  0.66557470  0.16496473  0.33226465  1.0
  B  B25  1  0.83231818  0.43241661  0.46664892  1.0
  B  B26  1  0.16504338  0.96723672  0.73732965  1.0
  B  B27  1  0.83508967  0.83536630  0.67132745  1.0
  B  B28  1  0.66734714  0.56782812  0.53468122  1.0
  B  B29  1  0.67141669  0.96713953  0.73766928  1.0