# generated using pymatgen
data_LiHf5(NbB5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21062792
_cell_length_b   7.08913423
_cell_length_c   7.51015617
_cell_angle_alpha   94.41849261
_cell_angle_beta   101.99506676
_cell_angle_gamma   116.00537339
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf5(NbB5)4
_chemical_formula_sum   'Li1 Hf5 Nb4 B20'
_cell_volume   285.32245601
_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  0.99963837  0.99927919  0.00119735  1.0
  Hf  Hf1  1  0.50194130  0.80154328  0.39940263  1.0
  Hf  Hf2  1  0.99940715  0.39696413  0.19842318  1.0
  Hf  Hf3  1  0.50004948  0.19976598  0.60093286  1.0
  Hf  Hf4  1  0.99817834  0.79919410  0.39988842  1.0
  Hf  Hf5  1  0.50150001  0.60123777  0.80192587  1.0
  Nb  Nb6  1  0.49833669  0.99980794  0.99899391  1.0
  Nb  Nb7  1  0.49899974  0.39882404  0.19951205  1.0
  Nb  Nb8  1  0.00090509  0.20192199  0.60046169  1.0
  Nb  Nb9  1  0.00037577  0.60163169  0.79993508  1.0
  B  B10  1  0.33107980  0.23124712  0.86916486  1.0
  B  B11  1  0.33293997  0.63312333  0.06695287  1.0
  B  B12  1  0.16393026  0.36142332  0.93596708  1.0
  B  B13  1  0.33096535  0.03310752  0.26372994  1.0
  B  B14  1  0.16506515  0.76804608  0.13024842  1.0
  B  B15  1  0.83609032  0.23039096  0.87021379  1.0
  B  B16  1  0.16429484  0.16527942  0.32847104  1.0
  B  B17  1  0.83471610  0.63708316  0.06365687  1.0
  B  B18  1  0.33378809  0.43259217  0.46646738  1.0
  B  B19  1  0.66626137  0.36686759  0.93242311  1.0
  B  B20  1  0.83520493  0.03419700  0.26219209  1.0
  B  B21  1  0.66903741  0.76903585  0.12985866  1.0
  B  B22  1  0.33435953  0.83594585  0.66669182  1.0
  B  B23  1  0.16671070  0.56757154  0.53169686  1.0
  B  B24  1  0.66486575  0.16516599  0.33288723  1.0
  B  B25  1  0.83357583  0.43318690  0.46615602  1.0
  B  B26  1  0.16532951  0.96689565  0.73808099  1.0
  B  B27  1  0.83532251  0.83495174  0.67219612  1.0
  B  B28  1  0.66706896  0.56707145  0.53451630  1.0
  B  B29  1  0.67005967  0.96664926  0.73775450  1.0