# generated using pymatgen
data_Li5Mo15S19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.46041542
_cell_length_b   9.46089060
_cell_length_c   18.97695391
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.96435271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Mo15S19
_chemical_formula_sum   'Li10 Mo30 S38'
_cell_volume   1471.48300856
_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  0.66645822  0.33327499  0.59339401  1
  Li  Li1  1  0.33354178  0.66672501  0.09339401  1
  Li  Li2  1  0.33354178  0.66672501  0.40660599  1
  Li  Li3  1  0.66645822  0.33327499  0.90660599  1
  Li  Li4  1  0.84083507  0.78462648  0.75000000  1
  Li  Li5  1  0.21532897  0.05624852  0.75000000  1
  Li  Li6  1  0.94374761  0.15909180  0.75000000  1
  Li  Li7  1  0.15916493  0.21537352  0.25000000  1
  Li  Li8  1  0.78467103  0.94375148  0.25000000  1
  Li  Li9  1  0.05625239  0.84090820  0.25000000  1
  Mo  Mo10  1  0.15771652  0.98640539  0.55849682  1
  Mo  Mo11  1  0.01370271  0.17176397  0.55866380  1
  Mo  Mo12  1  0.82777823  0.84103523  0.55889726  1
  Mo  Mo13  1  0.84228348  0.01359461  0.05849682  1
  Mo  Mo14  1  0.98629729  0.82823603  0.05866380  1
  Mo  Mo15  1  0.17222177  0.15896477  0.05889726  1
  Mo  Mo16  1  0.84228348  0.01359461  0.44150318  1
  Mo  Mo17  1  0.98629729  0.82823603  0.44133620  1
  Mo  Mo18  1  0.17222177  0.15896477  0.44110274  1
  Mo  Mo19  1  0.15771652  0.98640539  0.94150318  1
  Mo  Mo20  1  0.01370271  0.17176397  0.94133620  1
  Mo  Mo21  1  0.82777823  0.84103523  0.94110274  1
  Mo  Mo22  1  0.18439557  0.68981243  0.63095052  1
  Mo  Mo23  1  0.31011297  0.49455323  0.63099430  1
  Mo  Mo24  1  0.50531884  0.81546095  0.63097069  1
  Mo  Mo25  1  0.81560443  0.31018757  0.13095052  1
  Mo  Mo26  1  0.68988703  0.50544677  0.13099430  1
  Mo  Mo27  1  0.49468116  0.18453905  0.13097069  1
  Mo  Mo28  1  0.81560443  0.31018757  0.36904948  1
  Mo  Mo29  1  0.68988703  0.50544677  0.36900570  1
  Mo  Mo30  1  0.49468116  0.18453905  0.36902931  1
  Mo  Mo31  1  0.18439557  0.68981243  0.86904948  1
  Mo  Mo32  1  0.31011297  0.49455323  0.86900570  1
  Mo  Mo33  1  0.50531884  0.81546095  0.86902931  1
  Mo  Mo34  1  0.35490334  0.84178548  0.75000000  1
  Mo  Mo35  1  0.15796733  0.51306117  0.75000000  1
  Mo  Mo36  1  0.48661703  0.64486933  0.75000000  1
  Mo  Mo37  1  0.64509666  0.15821452  0.25000000  1
  Mo  Mo38  1  0.84203267  0.48693883  0.25000000  1
  Mo  Mo39  1  0.51338297  0.35513067  0.25000000  1
  S  S40  1  0.99952957  0.99974702  0.65870200  1
  S  S41  1  0.00047043  0.00025298  0.15870200  1
  S  S42  1  0.00047043  0.00025298  0.34129800  1
  S  S43  1  0.99952957  0.99974702  0.84129800  1
  S  S44  1  0.66665871  0.33338452  0.03259344  1
  S  S45  1  0.33334129  0.66661548  0.53259344  1
  S  S46  1  0.33334129  0.66661548  0.96740656  1
  S  S47  1  0.66665871  0.33338452  0.46740656  1
  S  S48  1  0.05540724  0.70719632  0.75000000  1
  S  S49  1  0.29287617  0.34826958  0.75000000  1
  S  S50  1  0.65156135  0.94449673  0.75000000  1
  S  S51  1  0.94459276  0.29280368  0.25000000  1
  S  S52  1  0.70712383  0.65173042  0.25000000  1
  S  S53  1  0.34843865  0.05550327  0.25000000  1
  S  S54  1  0.96839719  0.68461533  0.55091119  1
  S  S55  1  0.31515955  0.28423932  0.55063076  1
  S  S56  1  0.71630006  0.03072745  0.55116081  1
  S  S57  1  0.03160281  0.31538467  0.05091119  1
  S  S58  1  0.68484045  0.71576068  0.05063076  1
  S  S59  1  0.28369994  0.96927255  0.05116081  1
  S  S60  1  0.03160281  0.31538467  0.44908881  1
  S  S61  1  0.68484045  0.71576068  0.44936924  1
  S  S62  1  0.28369994  0.96927255  0.44883919  1
  S  S63  1  0.96839719  0.68461533  0.94908881  1
  S  S64  1  0.31515955  0.28423932  0.94936924  1
  S  S65  1  0.71630006  0.03072745  0.94883919  1
  S  S66  1  0.38081325  0.99441441  0.64022009  1
  S  S67  1  0.00551419  0.38660996  0.64024108  1
  S  S68  1  0.61325802  0.61861467  0.64027320  1
  S  S69  1  0.61918675  0.00558559  0.14022009  1
  S  S70  1  0.99448581  0.61339004  0.14024108  1
  S  S71  1  0.38674198  0.38138533  0.14027320  1
  S  S72  1  0.61918675  0.00558559  0.35977991  1
  S  S73  1  0.99448581  0.61339004  0.35975892  1
  S  S74  1  0.38674198  0.38138533  0.35972680  1
  S  S75  1  0.38081325  0.99441441  0.85977991  1
  S  S76  1  0.00551419  0.38660996  0.85975892  1
  S  S77  1  0.61325802  0.61861467  0.85972680  1
