# generated using pymatgen
data_Li3Ce4B12(H12Cl)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98463725
_cell_length_b   9.98463725
_cell_length_c   10.08937187
_cell_angle_alpha   71.06861302
_cell_angle_beta   70.07688464
_cell_angle_gamma   109.13698948
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ce4B12(H12Cl)4
_chemical_formula_sum   'Li3 Ce4 B12 H48 Cl4'
_cell_volume   778.25480482
_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  0.26028404  0.76028404  0.50000000  1
  Li  Li1  1  0.73924916  0.49513954  0.75436299  1
  Li  Li2  1  0.24950252  0.49361214  0.24563701  1
  Ce  Ce3  1  0.71364399  0.71162878  0.28721404  1
  Ce  Ce4  1  0.28810477  0.00229081  0.99437244  1
  Ce  Ce5  1  0.99666326  0.28247721  0.00562756  1
  Ce  Ce6  1  0.99884282  0.00085803  0.71278596  1
  B  B7  1  0.75799073  0.51729937  0.49017758  1
  B  B8  1  0.50969574  0.51588924  0.24306835  1
  B  B9  1  0.50923904  0.75684850  0.48463099  1
  B  B10  1  0.24432260  0.75663176  0.24443938  1
  B  B11  1  0.48907068  0.24611409  0.99327950  1
  B  B12  1  0.48386104  0.99977049  0.75847484  1
  B  B13  1  0.00107114  0.48876198  0.75556062  1
  B  B14  1  0.23939359  0.48235018  0.00672050  1
  B  B15  1  0.75824533  0.24233588  0.24152516  1
  B  B16  1  0.00747695  0.24816831  0.50982242  1
  B  B17  1  0.75895759  0.75276409  0.75693165  1
  B  B18  1  0.24147949  0.99387002  0.51536901  1
  H  H19  1  0.61195931  0.47284618  0.53153785  1
  H  H20  1  0.46811530  0.47172325  0.38739774  1
  H  H21  1  0.46770497  0.61163407  0.52803910  1
  H  H22  1  0.38892018  0.85809731  0.14222207  1
  H  H23  1  0.53170694  0.14261157  0.99425528  1
  H  H24  1  0.52684188  0.00043725  0.86088877  1
  H  H25  1  0.00031938  0.53114225  0.85777793  1
  H  H26  1  0.13686684  0.52596222  0.00574472  1
  H  H27  1  0.86132602  0.38773065  0.13911123  1
  H  H28  1  0.00438403  0.14349716  0.46846215  1
  H  H29  1  0.85912099  0.85551304  0.61260226  1
  H  H30  1  0.13967316  0.99574407  0.47196090  1
  H  H31  1  0.77258003  0.42093559  0.58617792  1
  H  H32  1  0.41352776  0.41850464  0.22846252  1
  H  H33  1  0.41321176  0.77180406  0.58289568  1
  H  H34  1  0.23394457  0.64676760  0.35382498  1
  H  H35  1  0.58579176  0.35673276  0.99457035  1
  H  H36  1  0.57872356  0.99965626  0.64675161  1
  H  H37  1  0.00059258  0.58776955  0.64617502  1
  H  H38  1  0.35130311  0.58036211  0.00542965  1
  H  H39  1  0.64640787  0.22547517  0.35324839  1
  H  H40  1  0.00711350  0.35875794  0.41382208  1
  H  H41  1  0.64696716  0.64199028  0.77153748  1
  H  H42  1  0.35469973  0.99610743  0.41710432  1
  H  H43  1  0.82488546  0.53046218  0.35514871  1
  H  H44  1  0.52539829  0.65382282  0.18247310  1
  H  H45  1  0.64635942  0.82385055  0.46798207  1
  H  H46  1  0.81962728  0.65578985  0.47359929  1
  H  H47  1  0.52414349  0.81828672  0.34826369  1
  H  H48  1  0.64676276  0.53082245  0.17601616  1
  H  H49  1  0.17589760  0.82514092  0.29760320  1
  H  H50  1  0.47303377  0.29174447  0.87233215  1
  H  H51  1  0.34417537  0.87947808  0.83599556  1
  H  H52  1  0.17664763  0.70261154  0.17706677  1
  H  H53  1  0.46475833  0.12090885  0.71725475  1
  H  H54  1  0.35239422  0.17776138  0.11305412  1
  H  H55  1  0.12274411  0.47350079  0.70239680  1
  H  H56  1  0.16407661  0.34536592  0.12766785  1
  H  H57  1  0.71547364  0.18017093  0.16400444  1
  H  H58  1  0.87967831  0.35371440  0.82293323  1
  H  H59  1  0.83816360  0.18201308  0.28274525  1
  H  H60  1  0.29081550  0.46544834  0.88694588  1
  H  H61  1  0.88561089  0.18003417  0.64485129  1
  H  H62  1  0.83629592  0.70787139  0.81752690  1
  H  H63  1  0.29183262  0.11434149  0.53201793  1
  H  H64  1  0.12938914  0.29322657  0.52640071  1
  H  H65  1  0.16655042  0.87240718  0.65173631  1
  H  H66  1  0.70683861  0.82277892  0.82398384  1
  Cl  Cl67  1  0.21323298  0.21314789  0.78701772  1
  Cl  Cl68  1  0.78579728  0.99958631  0.00076794  1
  Cl  Cl69  1  0.00035424  0.78656522  0.99923206  1
  Cl  Cl70  1  0.00016561  0.00025071  0.21298228  1
