# generated using pymatgen data_Y2CrS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52054500 _cell_length_b 12.58420600 _cell_length_c 12.58706000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2CrS4 _chemical_formula_sum 'Y16 Cr8 S32' _cell_volume 1191.24045992 _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 Y Y0 1 0.36874100 0.63458900 0.50665400 1.0 Y Y1 1 0.86850900 0.63505800 0.50760300 1.0 Y Y2 1 0.36874100 0.86541100 0.00665400 1.0 Y Y3 1 0.63125900 0.36541100 0.00665400 1.0 Y Y4 1 0.13149100 0.13505800 0.50760300 1.0 Y Y5 1 0.63125900 0.13458900 0.50665400 1.0 Y Y6 1 0.38512500 0.12629500 0.17432600 1.0 Y Y7 1 0.61487500 0.87370500 0.67432600 1.0 Y Y8 1 0.11324500 0.89130900 0.31409200 1.0 Y Y9 1 0.11324500 0.60869100 0.81409200 1.0 Y Y10 1 0.88675500 0.39130900 0.31409200 1.0 Y Y11 1 0.61487500 0.62629500 0.17432600 1.0 Y Y12 1 0.38512500 0.37370500 0.67432600 1.0 Y Y13 1 0.88675500 0.10869100 0.81409200 1.0 Y Y14 1 0.13149100 0.36494200 0.00760300 1.0 Y Y15 1 0.86850900 0.86494200 0.00760300 1.0 Cr Cr16 1 0.11936600 0.62607700 0.17813200 1.0 Cr Cr17 1 0.11936600 0.87392300 0.67813200 1.0 Cr Cr18 1 0.38408300 0.38769900 0.30619700 1.0 Cr Cr19 1 0.88063400 0.12607700 0.17813200 1.0 Cr Cr20 1 0.61591700 0.61230100 0.80619700 1.0 Cr Cr21 1 0.38408300 0.11230100 0.80619700 1.0 Cr Cr22 1 0.61591700 0.88769900 0.30619700 1.0 Cr Cr23 1 0.88063400 0.37392300 0.67813200 1.0 S S24 1 0.14087400 0.23011300 0.72899800 1.0 S S25 1 0.38595100 0.02643300 0.36984200 1.0 S S26 1 0.61786400 0.70978800 0.97588600 1.0 S S27 1 0.11502900 0.99084200 0.12105700 1.0 S S28 1 0.11502900 0.50915800 0.62105700 1.0 S S29 1 0.85912600 0.73011300 0.72899800 1.0 S S30 1 0.37397700 0.47271900 0.13339600 1.0 S S31 1 0.61786400 0.79021200 0.47588600 1.0 S S32 1 0.11791500 0.79188100 0.50410000 1.0 S S33 1 0.61404900 0.97356700 0.86984200 1.0 S S34 1 0.37397700 0.02728100 0.63339600 1.0 S S35 1 0.12401300 0.95055700 0.85921300 1.0 S S36 1 0.38595100 0.47356700 0.86984200 1.0 S S37 1 0.38213600 0.20978800 0.97588600 1.0 S S38 1 0.88497100 0.49084200 0.12105700 1.0 S S39 1 0.88208500 0.29188100 0.50410000 1.0 S S40 1 0.64357500 0.26243900 0.22350300 1.0 S S41 1 0.88497100 0.00915800 0.62105700 1.0 S S42 1 0.87598700 0.04944300 0.35921300 1.0 S S43 1 0.85912600 0.76988700 0.22899800 1.0 S S44 1 0.11791500 0.70811900 0.00410000 1.0 S S45 1 0.38213600 0.29021200 0.47588600 1.0 S S46 1 0.88208500 0.20811900 0.00410000 1.0 S S47 1 0.61404900 0.52643300 0.36984200 1.0 S S48 1 0.14087400 0.26988700 0.22899800 1.0 S S49 1 0.87598700 0.45055700 0.85921300 1.0 S S50 1 0.35642500 0.76243900 0.22350300 1.0 S S51 1 0.35642500 0.73756100 0.72350300 1.0 S S52 1 0.64357500 0.23756100 0.72350300 1.0 S S53 1 0.62602300 0.52728100 0.63339600 1.0 S S54 1 0.62602300 0.97271900 0.13339600 1.0 S S55 1 0.12401300 0.54944300 0.35921300 1.0