# generated using pymatgen
data_LiHf3(Nb3B10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19833335
_cell_length_b   7.06295028
_cell_length_c   7.45701550
_cell_angle_alpha   94.16375881
_cell_angle_beta   102.03562460
_cell_angle_gamma   115.99314980
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf3(Nb3B10)2
_chemical_formula_sum   'Li1 Hf3 Nb6 B20'
_cell_volume   281.94667854
_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  0.99987064  0.00041629  0.00028374  1.0
  Hf  Hf1  1  0.50022771  0.80024791  0.39935878  1.0
  Hf  Hf2  1  0.00003286  0.39756197  0.19852320  1.0
  Hf  Hf3  1  0.49962505  0.19934895  0.60096857  1.0
  Nb  Nb4  1  0.49955392  0.99940503  0.99896479  1.0
  Nb  Nb5  1  0.99853855  0.79576725  0.40063391  1.0
  Nb  Nb6  1  0.50385346  0.60061051  0.80080396  1.0
  Nb  Nb7  1  0.49727190  0.40021206  0.19911005  1.0
  Nb  Nb8  1  0.00192401  0.20286631  0.60083091  1.0
  Nb  Nb9  1  0.99871106  0.60407287  0.80052120  1.0
  B  B10  1  0.33019193  0.23073463  0.86989452  1.0
  B  B11  1  0.33303918  0.63351045  0.06607100  1.0
  B  B12  1  0.16457914  0.36187332  0.93538703  1.0
  B  B13  1  0.33023220  0.03277028  0.26398927  1.0
  B  B14  1  0.16532358  0.76915055  0.13011695  1.0
  B  B15  1  0.83569000  0.23080682  0.86974735  1.0
  B  B16  1  0.16426663  0.16479854  0.32808739  1.0
  B  B17  1  0.83451602  0.63840915  0.06282963  1.0
  B  B18  1  0.33301488  0.43278351  0.46571289  1.0
  B  B19  1  0.66691776  0.36772316  0.93242789  1.0
  B  B20  1  0.83558080  0.03350169  0.26265165  1.0
  B  B21  1  0.67007540  0.76964547  0.13002677  1.0
  B  B22  1  0.33423284  0.83515068  0.66662155  1.0
  B  B23  1  0.16767824  0.56684323  0.53365409  1.0
  B  B24  1  0.66516651  0.16456988  0.33319066  1.0
  B  B25  1  0.83229143  0.43208075  0.46659915  1.0
  B  B26  1  0.16498727  0.96674629  0.73802689  1.0
  B  B27  1  0.83546946  0.83461837  0.67297561  1.0
  B  B28  1  0.66757831  0.56682710  0.53559371  1.0
  B  B29  1  0.66955826  0.96694699  0.73639491  1.0