# generated using pymatgen data_HfCrCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.67022874 _cell_length_b 6.94281221 _cell_length_c 12.57568749 _cell_angle_alpha 86.34390061 _cell_angle_beta 90.28031350 _cell_angle_gamma 91.70691308 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrCuS4 _chemical_formula_sum 'Hf8 Cr8 Cu8 S32' _cell_volume 1016.40555115 _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 Hf Hf0 1 0.11693900 0.87562100 0.69441500 1.0 Hf Hf1 1 0.88244400 0.15961300 0.18386900 1.0 Hf Hf2 1 0.38763600 0.95029600 0.17879900 1.0 Hf Hf3 1 0.60383300 0.08875200 0.69453400 1.0 Hf Hf4 1 0.89872200 0.55176900 0.84339900 1.0 Hf Hf5 1 0.38663800 0.34946800 0.83751700 1.0 Hf Hf6 1 0.61049800 0.63739200 0.33341000 1.0 Hf Hf7 1 0.87511200 0.38225700 0.49949200 1.0 Cr Cr8 1 0.12093000 0.40225300 0.32677300 1.0 Cr Cr9 1 0.15744000 0.61426400 0.95673200 1.0 Cr Cr10 1 0.33966900 0.63719400 0.44217500 1.0 Cr Cr11 1 0.64313200 0.30028800 0.96595700 1.0 Cr Cr12 1 0.14453800 0.15425100 0.08205500 1.0 Cr Cr13 1 0.85270600 0.89799700 0.46154800 1.0 Cr Cr14 1 0.34108300 0.12547700 0.45099700 1.0 Cr Cr15 1 0.65284500 0.80189700 0.96645900 1.0 Cu Cu16 1 0.09985100 0.32227500 0.63380200 1.0 Cu Cu17 1 0.87705900 0.58761000 0.18014100 1.0 Cu Cu18 1 0.41458800 0.49118600 0.16541800 1.0 Cu Cu19 1 0.61036300 0.66191800 0.67332300 1.0 Cu Cu20 1 0.12847000 0.83977800 0.33095300 1.0 Cu Cu21 1 0.89800200 0.10438300 0.80268100 1.0 Cu Cu22 1 0.36773100 0.93999200 0.76573100 1.0 Cu Cu23 1 0.63373300 0.12536900 0.26575800 1.0 S S24 1 0.01693900 0.84295400 0.87879700 1.0 S S25 1 0.97198200 0.15794100 0.37625600 1.0 S S26 1 0.46799000 0.90132400 0.37103300 1.0 S S27 1 0.51139900 0.05410500 0.88709400 1.0 S S28 1 0.04396300 0.41939300 0.15101300 1.0 S S29 1 0.98095900 0.57784600 0.65093300 1.0 S S30 1 0.49217800 0.38924900 0.66547700 1.0 S S31 1 0.55041100 0.73502500 0.13982100 1.0 S S32 1 0.03932000 0.33195300 0.91427700 1.0 S S33 1 0.97214700 0.63685600 0.37410000 1.0 S S34 1 0.46957000 0.39536400 0.40087700 1.0 S S35 1 0.53072800 0.56081600 0.91096900 1.0 S S36 1 0.01407200 0.90929500 0.15519000 1.0 S S37 1 0.95678400 0.08288300 0.62531900 1.0 S S38 1 0.46552100 0.87736000 0.61733200 1.0 S S39 1 0.52155400 0.22619200 0.12889400 1.0 S S40 1 0.21080100 0.86419000 0.51050900 1.0 S S41 1 0.77004500 0.05873000 0.02519400 1.0 S S42 1 0.25790800 0.89084400 0.02955600 1.0 S S43 1 0.71533200 0.12552400 0.51996700 1.0 S S44 1 0.21819700 0.37321100 0.49337000 1.0 S S45 1 0.78026100 0.55760800 0.01814900 1.0 S S46 1 0.28910000 0.38954600 0.02468800 1.0 S S47 1 0.72149400 0.63976300 0.51577300 1.0 S S48 1 0.22361400 0.16334300 0.75623000 1.0 S S49 1 0.76636100 0.89387700 0.29196300 1.0 S S50 1 0.23269800 0.13178200 0.27299200 1.0 S S51 1 0.73239700 0.82446500 0.78766000 1.0 S S52 1 0.26189200 0.65289000 0.79600100 1.0 S S53 1 0.75367500 0.39226700 0.29585600 1.0 S S54 1 0.26908700 0.62715900 0.27035100 1.0 S S55 1 0.74766000 0.31494500 0.79642400 1.0