# 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 1.0 Li Li1 1 0.33354178 0.66672501 0.09339401 1.0 Li Li2 1 0.33354178 0.66672501 0.40660599 1.0 Li Li3 1 0.66645822 0.33327499 0.90660599 1.0 Li Li4 1 0.84083507 0.78462648 0.75000000 1.0 Li Li5 1 0.21532897 0.05624852 0.75000000 1.0 Li Li6 1 0.94374761 0.15909180 0.75000000 1.0 Li Li7 1 0.15916493 0.21537352 0.25000000 1.0 Li Li8 1 0.78467103 0.94375148 0.25000000 1.0 Li Li9 1 0.05625239 0.84090820 0.25000000 1.0 Mo Mo10 1 0.15771652 0.98640539 0.55849682 1.0 Mo Mo11 1 0.01370271 0.17176397 0.55866380 1.0 Mo Mo12 1 0.82777823 0.84103523 0.55889726 1.0 Mo Mo13 1 0.84228348 0.01359461 0.05849682 1.0 Mo Mo14 1 0.98629729 0.82823603 0.05866380 1.0 Mo Mo15 1 0.17222177 0.15896477 0.05889726 1.0 Mo Mo16 1 0.84228348 0.01359461 0.44150318 1.0 Mo Mo17 1 0.98629729 0.82823603 0.44133620 1.0 Mo Mo18 1 0.17222177 0.15896477 0.44110274 1.0 Mo Mo19 1 0.15771652 0.98640539 0.94150318 1.0 Mo Mo20 1 0.01370271 0.17176397 0.94133620 1.0 Mo Mo21 1 0.82777823 0.84103523 0.94110274 1.0 Mo Mo22 1 0.18439557 0.68981243 0.63095052 1.0 Mo Mo23 1 0.31011297 0.49455323 0.63099430 1.0 Mo Mo24 1 0.50531884 0.81546095 0.63097069 1.0 Mo Mo25 1 0.81560443 0.31018757 0.13095052 1.0 Mo Mo26 1 0.68988703 0.50544677 0.13099430 1.0 Mo Mo27 1 0.49468116 0.18453905 0.13097069 1.0 Mo Mo28 1 0.81560443 0.31018757 0.36904948 1.0 Mo Mo29 1 0.68988703 0.50544677 0.36900570 1.0 Mo Mo30 1 0.49468116 0.18453905 0.36902931 1.0 Mo Mo31 1 0.18439557 0.68981243 0.86904948 1.0 Mo Mo32 1 0.31011297 0.49455323 0.86900570 1.0 Mo Mo33 1 0.50531884 0.81546095 0.86902931 1.0 Mo Mo34 1 0.35490334 0.84178548 0.75000000 1.0 Mo Mo35 1 0.15796733 0.51306117 0.75000000 1.0 Mo Mo36 1 0.48661703 0.64486933 0.75000000 1.0 Mo Mo37 1 0.64509666 0.15821452 0.25000000 1.0 Mo Mo38 1 0.84203267 0.48693883 0.25000000 1.0 Mo Mo39 1 0.51338297 0.35513067 0.25000000 1.0 S S40 1 0.99952957 0.99974702 0.65870200 1.0 S S41 1 0.00047043 0.00025298 0.15870200 1.0 S S42 1 0.00047043 0.00025298 0.34129800 1.0 S S43 1 0.99952957 0.99974702 0.84129800 1.0 S S44 1 0.66665871 0.33338452 0.03259344 1.0 S S45 1 0.33334129 0.66661548 0.53259344 1.0 S S46 1 0.33334129 0.66661548 0.96740656 1.0 S S47 1 0.66665871 0.33338452 0.46740656 1.0 S S48 1 0.05540724 0.70719632 0.75000000 1.0 S S49 1 0.29287617 0.34826958 0.75000000 1.0 S S50 1 0.65156135 0.94449673 0.75000000 1.0 S S51 1 0.94459276 0.29280368 0.25000000 1.0 S S52 1 0.70712383 0.65173042 0.25000000 1.0 S S53 1 0.34843865 0.05550327 0.25000000 1.0 S S54 1 0.96839719 0.68461533 0.55091119 1.0 S S55 1 0.31515955 0.28423932 0.55063076 1.0 S S56 1 0.71630006 0.03072745 0.55116081 1.0 S S57 1 0.03160281 0.31538467 0.05091119 1.0 S S58 1 0.68484045 0.71576068 0.05063076 1.0 S S59 1 0.28369994 0.96927255 0.05116081 1.0 S S60 1 0.03160281 0.31538467 0.44908881 1.0 S S61 1 0.68484045 0.71576068 0.44936924 1.0 S S62 1 0.28369994 0.96927255 0.44883919 1.0 S S63 1 0.96839719 0.68461533 0.94908881 1.0 S S64 1 0.31515955 0.28423932 0.94936924 1.0 S S65 1 0.71630006 0.03072745 0.94883919 1.0 S S66 1 0.38081325 0.99441441 0.64022009 1.0 S S67 1 0.00551419 0.38660996 0.64024108 1.0 S S68 1 0.61325802 0.61861467 0.64027320 1.0 S S69 1 0.61918675 0.00558559 0.14022009 1.0 S S70 1 0.99448581 0.61339004 0.14024108 1.0 S S71 1 0.38674198 0.38138533 0.14027320 1.0 S S72 1 0.61918675 0.00558559 0.35977991 1.0 S S73 1 0.99448581 0.61339004 0.35975892 1.0 S S74 1 0.38674198 0.38138533 0.35972680 1.0 S S75 1 0.38081325 0.99441441 0.85977991 1.0 S S76 1 0.00551419 0.38660996 0.85975892 1.0 S S77 1 0.61325802 0.61861467 0.85972680 1.0