# generated using pymatgen data_Y(CuS2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73718500 _cell_length_b 8.52373400 _cell_length_c 14.34273400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y(CuS2)3 _chemical_formula_sum 'Y4 Cu12 S24' _cell_volume 823.64545326 _cell_formula_units_Z 4 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 Y Y0 1 0.50475700 0.95294100 0.92990400 1.0 Y Y1 1 0.49524300 0.45294100 0.57009600 1.0 Y Y2 1 0.00475700 0.54705900 0.07009600 1.0 Y Y3 1 0.99524300 0.04705900 0.42990400 1.0 Cu Cu4 1 0.63193000 0.21360400 0.31803700 1.0 Cu Cu5 1 0.50723100 0.51445100 0.34067300 1.0 Cu Cu6 1 0.61446100 0.81411100 0.30861900 1.0 Cu Cu7 1 0.00723100 0.98554900 0.65932700 1.0 Cu Cu8 1 0.13193000 0.28639600 0.68196300 1.0 Cu Cu9 1 0.11446100 0.68588900 0.69138100 1.0 Cu Cu10 1 0.49276900 0.01445100 0.15932700 1.0 Cu Cu11 1 0.38553900 0.31411100 0.19138100 1.0 Cu Cu12 1 0.36807000 0.71360400 0.18196300 1.0 Cu Cu13 1 0.88553900 0.18588900 0.80861900 1.0 Cu Cu14 1 0.99276900 0.48554900 0.84067300 1.0 Cu Cu15 1 0.86807000 0.78639600 0.81803700 1.0 S S16 1 0.78327200 0.19492100 0.95920000 1.0 S S17 1 0.74049700 0.44052700 0.93897400 1.0 S S18 1 0.81933400 0.78760000 0.97271000 1.0 S S19 1 0.25950300 0.94052700 0.56102600 1.0 S S20 1 0.18066600 0.28760000 0.52729000 1.0 S S21 1 0.21672800 0.69492100 0.54080000 1.0 S S22 1 0.24049700 0.05947300 0.06102600 1.0 S S23 1 0.28327200 0.30507900 0.04080000 1.0 S S24 1 0.31933400 0.71240000 0.02729000 1.0 S S25 1 0.68066600 0.21240000 0.47271000 1.0 S S26 1 0.75950300 0.55947300 0.43897400 1.0 S S27 1 0.71672800 0.80507900 0.45920000 1.0 S S28 1 0.22521300 0.11526300 0.80354000 1.0 S S29 1 0.28533800 0.48725900 0.76584500 1.0 S S30 1 0.21379500 0.86550800 0.80634200 1.0 S S31 1 0.28620500 0.13449200 0.30634200 1.0 S S32 1 0.21466200 0.51274100 0.26584500 1.0 S S33 1 0.27478700 0.88473700 0.30354000 1.0 S S34 1 0.78533800 0.01274100 0.23415500 1.0 S S35 1 0.72521300 0.38473700 0.19646000 1.0 S S36 1 0.71379500 0.63449200 0.19365800 1.0 S S37 1 0.71466200 0.98725900 0.73415500 1.0 S S38 1 0.78620500 0.36550800 0.69365800 1.0 S S39 1 0.77478700 0.61526300 0.69646000 1.0