# generated using pymatgen
data_Li3Mo15Se19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72197740
_cell_length_b   9.61627497
_cell_length_c   19.84678844
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92050046
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mo15Se19
_chemical_formula_sum   'Li6 Mo30 Se38'
_cell_volume   1608.16165953
_cell_formula_units_Z   2
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  0.66662955  0.33054529  0.60127336  1
  Li  Li1  1  0.33337045  0.66945471  0.10127336  1
  Li  Li2  1  0.33337045  0.66945471  0.39872664  1
  Li  Li3  1  0.66662955  0.33054529  0.89872664  1
  Li  Li4  1  0.82454564  0.79001761  0.75000000  1
  Li  Li5  1  0.17545436  0.20998239  0.25000000  1
  Mo  Mo6  1  0.35145356  0.83773912  0.75000000  1
  Mo  Mo7  1  0.16151955  0.51278612  0.75000000  1
  Mo  Mo8  1  0.48012315  0.64462079  0.75000000  1
  Mo  Mo9  1  0.64854644  0.16226088  0.25000000  1
  Mo  Mo10  1  0.83848045  0.48721388  0.25000000  1
  Mo  Mo11  1  0.51987685  0.35537921  0.25000000  1
  Mo  Mo12  1  0.18949911  0.69156609  0.63442608  1
  Mo  Mo13  1  0.30718694  0.49574072  0.63512058  1
  Mo  Mo14  1  0.50052425  0.80998838  0.63521683  1
  Mo  Mo15  1  0.81050089  0.30843391  0.13442608  1
  Mo  Mo16  1  0.69281306  0.50425928  0.13512058  1
  Mo  Mo17  1  0.49947575  0.19001162  0.13521683  1
  Mo  Mo18  1  0.81050089  0.30843391  0.36557392  1
  Mo  Mo19  1  0.69281306  0.50425928  0.36487942  1
  Mo  Mo20  1  0.49947575  0.19001162  0.36478317  1
  Mo  Mo21  1  0.18949911  0.69156609  0.86557392  1
  Mo  Mo22  1  0.30718694  0.49574072  0.86487942  1
  Mo  Mo23  1  0.50052425  0.80998838  0.86478317  1
  Mo  Mo24  1  0.15316505  0.98367568  0.55716621  1
  Mo  Mo25  1  0.01714879  0.16762597  0.55639755  1
  Mo  Mo26  1  0.83067090  0.84625721  0.55931972  1
  Mo  Mo27  1  0.84683495  0.01632432  0.05716621  1
  Mo  Mo28  1  0.98285121  0.83237403  0.05639755  1
  Mo  Mo29  1  0.16932910  0.15374279  0.05931972  1
  Mo  Mo30  1  0.84683495  0.01632432  0.44283379  1
  Mo  Mo31  1  0.98285121  0.83237403  0.44360245  1
  Mo  Mo32  1  0.16932910  0.15374279  0.44068028  1
  Mo  Mo33  1  0.15316505  0.98367568  0.94283379  1
  Mo  Mo34  1  0.01714879  0.16762597  0.94360245  1
  Mo  Mo35  1  0.83067090  0.84625721  0.94068028  1
  Se  Se36  1  0.04590358  0.70446559  0.75000000  1
  Se  Se37  1  0.29091020  0.33540723  0.75000000  1
  Se  Se38  1  0.65803553  0.95615097  0.75000000  1
  Se  Se39  1  0.95409642  0.29553441  0.25000000  1
  Se  Se40  1  0.70908980  0.66459277  0.25000000  1
  Se  Se41  1  0.34196447  0.04384903  0.25000000  1
  Se  Se42  1  0.00493197  0.00028044  0.65944538  1
  Se  Se43  1  0.99506803  0.99971956  0.15944538  1
  Se  Se44  1  0.99506803  0.99971956  0.34055462  1
  Se  Se45  1  0.00493197  0.00028044  0.84055462  1
  Se  Se46  1  0.96240981  0.67102588  0.55080827  1
  Se  Se47  1  0.32665916  0.29254186  0.54710120  1
  Se  Se48  1  0.70967943  0.03429868  0.55066905  1
  Se  Se49  1  0.03759019  0.32897412  0.05080827  1
  Se  Se50  1  0.67334084  0.70745814  0.04710120  1
  Se  Se51  1  0.29032057  0.96570132  0.05066905  1
  Se  Se52  1  0.03759019  0.32897412  0.44919173  1
  Se  Se53  1  0.67334084  0.70745814  0.45289880  1
  Se  Se54  1  0.29032057  0.96570132  0.44933095  1
  Se  Se55  1  0.96240981  0.67102588  0.94919173  1
  Se  Se56  1  0.32665916  0.29254186  0.95289880  1
  Se  Se57  1  0.70967943  0.03429868  0.94933095  1
  Se  Se58  1  0.38209214  0.00569674  0.64291995  1
  Se  Se59  1  0.99623942  0.37687155  0.64307576  1
  Se  Se60  1  0.61987052  0.61232127  0.64369336  1
  Se  Se61  1  0.61790786  0.99430326  0.14291995  1
  Se  Se62  1  0.00376058  0.62312845  0.14307576  1
  Se  Se63  1  0.38012948  0.38767873  0.14369336  1
  Se  Se64  1  0.61790786  0.99430326  0.35708005  1
  Se  Se65  1  0.00376058  0.62312845  0.35692424  1
  Se  Se66  1  0.38012948  0.38767873  0.35630664  1
  Se  Se67  1  0.38209214  0.00569674  0.85708005  1
  Se  Se68  1  0.99623942  0.37687155  0.85692424  1
  Se  Se69  1  0.61987052  0.61232127  0.85630664  1
  Se  Se70  1  0.66739327  0.33366086  0.03224957  1
  Se  Se71  1  0.33260673  0.66633914  0.53224957  1
  Se  Se72  1  0.33260673  0.66633914  0.96775043  1
  Se  Se73  1  0.66739327  0.33366086  0.46775043  1
