# generated using pymatgen data_Y2(CuS2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27645100 _cell_length_b 11.46608500 _cell_length_c 13.55679700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2(CuS2)3 _chemical_formula_sum 'Y8 Cu12 S24' _cell_volume 975.63280008 _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 0.99632800 0.58071900 0.63856000 1.0 Y Y1 1 0.99632800 0.91928100 0.63856000 1.0 Y Y2 1 0.00367200 0.41928100 0.36144000 1.0 Y Y3 1 0.00367200 0.08071900 0.36144000 1.0 Y Y4 1 0.49632800 0.41928100 0.86144000 1.0 Y Y5 1 0.49632800 0.08071900 0.86144000 1.0 Y Y6 1 0.50367200 0.58071900 0.13856000 1.0 Y Y7 1 0.50367200 0.91928100 0.13856000 1.0 Cu Cu8 1 0.13274900 0.41320400 0.04873000 1.0 Cu Cu9 1 0.13274900 0.08679600 0.04873000 1.0 Cu Cu10 1 0.13489400 0.75000000 0.04731100 1.0 Cu Cu11 1 0.63274900 0.58679600 0.45127000 1.0 Cu Cu12 1 0.63489400 0.25000000 0.45268900 1.0 Cu Cu13 1 0.63274900 0.91320400 0.45127000 1.0 Cu Cu14 1 0.86725100 0.58679600 0.95127000 1.0 Cu Cu15 1 0.86510600 0.25000000 0.95268900 1.0 Cu Cu16 1 0.86725100 0.91320400 0.95127000 1.0 Cu Cu17 1 0.36725100 0.41320400 0.54873000 1.0 Cu Cu18 1 0.36725100 0.08679600 0.54873000 1.0 Cu Cu19 1 0.36510600 0.75000000 0.54731100 1.0 S S20 1 0.24594200 0.41187300 0.70290500 1.0 S S21 1 0.24594200 0.08812700 0.70290500 1.0 S S22 1 0.24473500 0.75000000 0.70245000 1.0 S S23 1 0.75405800 0.58812700 0.29709500 1.0 S S24 1 0.75526500 0.25000000 0.29755000 1.0 S S25 1 0.75405800 0.91187300 0.29709500 1.0 S S26 1 0.74594200 0.58812700 0.79709500 1.0 S S27 1 0.74473500 0.25000000 0.79755000 1.0 S S28 1 0.74594200 0.91187300 0.79709500 1.0 S S29 1 0.25405800 0.41187300 0.20290500 1.0 S S30 1 0.25405800 0.08812700 0.20290500 1.0 S S31 1 0.25526500 0.75000000 0.20245000 1.0 S S32 1 0.74271500 0.42106900 0.53531900 1.0 S S33 1 0.74271500 0.07893100 0.53531900 1.0 S S34 1 0.73247500 0.75000000 0.53933300 1.0 S S35 1 0.75728500 0.42106900 0.03531900 1.0 S S36 1 0.75728500 0.07893100 0.03531900 1.0 S S37 1 0.76752500 0.75000000 0.03933300 1.0 S S38 1 0.24271500 0.57893100 0.96468100 1.0 S S39 1 0.23247500 0.25000000 0.96066700 1.0 S S40 1 0.24271500 0.92106900 0.96468100 1.0 S S41 1 0.25728500 0.57893100 0.46468100 1.0 S S42 1 0.26752500 0.25000000 0.46066700 1.0 S S43 1 0.25728500 0.92106900 0.46468100 1.0