# generated using pymatgen data_TiCrCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.41402714 _cell_length_b 6.89934706 _cell_length_c 11.93612354 _cell_angle_alpha 90.83557742 _cell_angle_beta 90.17737999 _cell_angle_gamma 89.96887649 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrCuS4 _chemical_formula_sum 'Ti8 Cr8 Cu8 S32' _cell_volume 939.85721122 _cell_formula_units_Z 8 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 Ti Ti0 1 0.09010200 0.89780600 0.68102800 1.0 Ti Ti1 1 0.91114600 0.10713100 0.18201300 1.0 Ti Ti2 1 0.40904400 0.88350300 0.18457600 1.0 Ti Ti3 1 0.58717600 0.10219900 0.68495700 1.0 Ti Ti4 1 0.86629000 0.61688100 0.83302700 1.0 Ti Ti5 1 0.36963900 0.38390100 0.83147500 1.0 Ti Ti6 1 0.63078900 0.59952400 0.33015500 1.0 Ti Ti7 1 0.87133900 0.39358700 0.48704600 1.0 Cr Cr8 1 0.12362700 0.36349000 0.33049800 1.0 Cr Cr9 1 0.15840100 0.62343900 0.95167000 1.0 Cr Cr10 1 0.34282800 0.63155400 0.45511700 1.0 Cr Cr11 1 0.65781600 0.38335000 0.95376800 1.0 Cr Cr12 1 0.14120500 0.13034400 0.97302800 1.0 Cr Cr13 1 0.85367000 0.86808800 0.47148400 1.0 Cr Cr14 1 0.35691000 0.13599000 0.46924900 1.0 Cr Cr15 1 0.64528000 0.87728400 0.97034700 1.0 Cu Cu16 1 0.11737700 0.37163800 0.68495400 1.0 Cu Cu17 1 0.88792400 0.62649900 0.18606900 1.0 Cu Cu18 1 0.39300600 0.38152800 0.18595900 1.0 Cu Cu19 1 0.60756000 0.62126400 0.68560500 1.0 Cu Cu20 1 0.12271100 0.88347500 0.32497800 1.0 Cu Cu21 1 0.87926600 0.12284500 0.81710400 1.0 Cu Cu22 1 0.37706000 0.88639800 0.82054600 1.0 Cu Cu23 1 0.62297200 0.12804500 0.32103700 1.0 S S24 1 0.02406800 0.86087500 0.87895000 1.0 S S25 1 0.97483100 0.12963300 0.38056700 1.0 S S26 1 0.47492100 0.86714500 0.38232300 1.0 S S27 1 0.52631800 0.13823900 0.88426300 1.0 S S28 1 0.03518400 0.36174300 0.14303400 1.0 S S29 1 0.95886400 0.63498500 0.63668000 1.0 S S30 1 0.45869400 0.34842500 0.64094500 1.0 S S31 1 0.53788200 0.63063700 0.14254200 1.0 S S32 1 0.02193400 0.38824000 0.87769900 1.0 S S33 1 0.97867200 0.61325000 0.37107400 1.0 S S34 1 0.47389400 0.38918800 0.38261300 1.0 S S35 1 0.52281300 0.61424100 0.87858700 1.0 S S36 1 0.03461500 0.86217000 0.14107600 1.0 S S37 1 0.96517500 0.14653300 0.63672200 1.0 S S38 1 0.46721400 0.85195700 0.64362800 1.0 S S39 1 0.52974100 0.12979400 0.14402800 1.0 S S40 1 0.21419600 0.88580800 0.52075300 1.0 S S41 1 0.78453700 0.12664100 0.01979600 1.0 S S42 1 0.28507700 0.87980200 0.01703300 1.0 S S43 1 0.71681000 0.12505600 0.52071000 1.0 S S44 1 0.21586400 0.37708100 0.50994100 1.0 S S45 1 0.78464800 0.63327400 0.01719300 1.0 S S46 1 0.28297000 0.37129900 0.01517200 1.0 S S47 1 0.71400500 0.62794000 0.51766700 1.0 S S48 1 0.23057600 0.11892500 0.78976400 1.0 S S49 1 0.76327200 0.87781300 0.29010300 1.0 S S50 1 0.26494400 0.12038300 0.28947000 1.0 S S51 1 0.73643800 0.88416100 0.78998600 1.0 S S52 1 0.23820900 0.62900000 0.77180900 1.0 S S53 1 0.76793800 0.36731800 0.28676200 1.0 S S54 1 0.25685400 0.61601000 0.27900900 1.0 S S55 1 0.73570700 0.37267200 0.77241600 1.0