# generated using pymatgen data_TiCrCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.41751800 _cell_length_b 6.97578500 _cell_length_c 11.94246500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCrCuS4 _chemical_formula_sum 'Ti8 Cr8 Cu8 S32' _cell_volume 951.17136833 _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 0.08952800 0.88473200 0.68297700 1.0 Ti Ti1 1 0.91047200 0.11526800 0.18297700 1.0 Ti Ti2 1 0.41047200 0.88473200 0.18297700 1.0 Ti Ti3 1 0.58952800 0.11526800 0.68297700 1.0 Ti Ti4 1 0.13402900 0.37675900 0.33224300 1.0 Ti Ti5 1 0.86597100 0.62324100 0.83224300 1.0 Ti Ti6 1 0.36597100 0.37675900 0.83224300 1.0 Ti Ti7 1 0.63402900 0.62324100 0.33224300 1.0 Cr Cr8 1 0.15738500 0.61778300 0.95182700 1.0 Cr Cr9 1 0.84261500 0.38221700 0.45182700 1.0 Cr Cr10 1 0.34261500 0.61778300 0.45182700 1.0 Cr Cr11 1 0.65738500 0.38221700 0.95182700 1.0 Cr Cr12 1 0.13966900 0.12618900 0.97510300 1.0 Cr Cr13 1 0.86033100 0.87381100 0.47510300 1.0 Cr Cr14 1 0.36033100 0.12618900 0.47510300 1.0 Cr Cr15 1 0.63966900 0.87381100 0.97510300 1.0 Cu Cu16 1 0.10948700 0.37380400 0.68710100 1.0 Cu Cu17 1 0.89051300 0.62619600 0.18710100 1.0 Cu Cu18 1 0.39051300 0.37380400 0.18710100 1.0 Cu Cu19 1 0.60948700 0.62619600 0.68710100 1.0 Cu Cu20 1 0.12273700 0.88850800 0.32355700 1.0 Cu Cu21 1 0.87726300 0.11149200 0.82355700 1.0 Cu Cu22 1 0.37726300 0.88850800 0.82355700 1.0 Cu Cu23 1 0.62273700 0.11149200 0.32355700 1.0 S S24 1 0.02580100 0.86011900 0.88350600 1.0 S S25 1 0.97419900 0.13988100 0.38350600 1.0 S S26 1 0.47419900 0.86011900 0.38350600 1.0 S S27 1 0.52580100 0.13988100 0.88350600 1.0 S S28 1 0.03604100 0.36692700 0.14126700 1.0 S S29 1 0.96395900 0.63307300 0.64126700 1.0 S S30 1 0.46395900 0.36692700 0.64126700 1.0 S S31 1 0.53604100 0.63307300 0.14126700 1.0 S S32 1 0.02393600 0.38908300 0.87584500 1.0 S S33 1 0.97606400 0.61091700 0.37584500 1.0 S S34 1 0.47606400 0.38908300 0.37584500 1.0 S S35 1 0.52393600 0.61091700 0.87584500 1.0 S S36 1 0.03385200 0.87188500 0.14275900 1.0 S S37 1 0.96614800 0.12811500 0.64275900 1.0 S S38 1 0.46614800 0.87188500 0.64275900 1.0 S S39 1 0.53385200 0.12811500 0.14275900 1.0 S S40 1 0.21575400 0.87702800 0.51870900 1.0 S S41 1 0.78424600 0.12297200 0.01870900 1.0 S S42 1 0.28424600 0.87702800 0.01870900 1.0 S S43 1 0.71575400 0.12297200 0.51870900 1.0 S S44 1 0.21728800 0.36870000 0.51703800 1.0 S S45 1 0.78271200 0.63130000 0.01703800 1.0 S S46 1 0.28271200 0.36870000 0.01703800 1.0 S S47 1 0.71728800 0.63130000 0.51703800 1.0 S S48 1 0.23044200 0.12202800 0.79015300 1.0 S S49 1 0.76955800 0.87797200 0.29015200 1.0 S S50 1 0.26955800 0.12202800 0.29015200 1.0 S S51 1 0.73044200 0.87797200 0.79015300 1.0 S S52 1 0.24242800 0.63293400 0.77491600 1.0 S S53 1 0.75757200 0.36706600 0.27491600 1.0 S S54 1 0.25757200 0.63293400 0.27491600 1.0 S S55 1 0.74242800 0.36706600 0.77491600 1.0