# generated using pymatgen data_Cr19S30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88115100 _cell_length_b 10.39611434 _cell_length_c 10.73536362 _cell_angle_alpha 80.86268366 _cell_angle_beta 72.45623929 _cell_angle_gamma 67.14924194 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr19S30 _chemical_formula_sum 'Cr19 S30' _cell_volume 869.93273743 _cell_formula_units_Z 1 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 Cr Cr0 1 0.79715600 0.10282300 0.79848200 1.0 Cr Cr1 1 0.00000000 0.50000000 0.00000000 1.0 Cr Cr2 1 0.20284400 0.89717700 0.20151800 1.0 Cr Cr3 1 0.60382500 0.69997700 0.60181800 1.0 Cr Cr4 1 0.39617500 0.30002300 0.39818200 1.0 Cr Cr5 1 0.02241400 0.82234300 0.98628100 1.0 Cr Cr6 1 0.22381200 0.22924300 0.18909600 1.0 Cr Cr7 1 0.41641300 0.63334200 0.38446200 1.0 Cr Cr8 1 0.79590100 0.43646100 0.80259600 1.0 Cr Cr9 1 0.62038100 0.02825300 0.58549800 1.0 Cr Cr10 1 0.97758600 0.17765700 0.01371900 1.0 Cr Cr11 1 0.20409900 0.56353900 0.19740400 1.0 Cr Cr12 1 0.37961900 0.97174700 0.41450200 1.0 Cr Cr13 1 0.77618800 0.77075700 0.81090400 1.0 Cr Cr14 1 0.58358700 0.36665800 0.61553800 1.0 Cr Cr15 1 0.29324900 0.10150700 0.80315300 1.0 Cr Cr16 1 0.10583800 0.69619500 0.60183700 1.0 Cr Cr17 1 0.89416200 0.30380500 0.39816300 1.0 Cr Cr18 1 0.70675100 0.89849300 0.19684700 1.0 S S19 1 0.20673900 0.26618200 0.96814200 1.0 S S20 1 0.00479600 0.86493200 0.76751900 1.0 S S21 1 0.80181500 0.46545300 0.57028900 1.0 S S22 1 0.60275800 0.06590900 0.36590900 1.0 S S23 1 0.40401600 0.66968700 0.16823700 1.0 S S24 1 0.00870500 0.20036900 0.77963300 1.0 S S25 1 0.81827000 0.79437500 0.57640300 1.0 S S26 1 0.60989300 0.39717700 0.37657300 1.0 S S27 1 0.41486700 0.99450600 0.17974400 1.0 S S28 1 0.21277200 0.59405400 0.97437300 1.0 S S29 1 0.20685600 0.94292800 0.97299700 1.0 S S30 1 0.00362200 0.54503300 0.77323300 1.0 S S31 1 0.81127700 0.14256600 0.56818800 1.0 S S32 1 0.60681700 0.74777800 0.37163600 1.0 S S33 1 0.41292400 0.33863900 0.17379500 1.0 S S34 1 0.39724200 0.93409100 0.63409100 1.0 S S35 1 0.19818500 0.53454700 0.42971100 1.0 S S36 1 0.99520400 0.13506800 0.23248100 1.0 S S37 1 0.79326100 0.73381800 0.03185800 1.0 S S38 1 0.59598400 0.33031300 0.83176300 1.0 S S39 1 0.58513300 0.00549400 0.82025600 1.0 S S40 1 0.39010700 0.60282300 0.62342700 1.0 S S41 1 0.18173000 0.20562500 0.42359700 1.0 S S42 1 0.99129500 0.79963100 0.22036700 1.0 S S43 1 0.78722800 0.40594600 0.02562700 1.0 S S44 1 0.39318300 0.25222200 0.62836400 1.0 S S45 1 0.18872300 0.85743400 0.43181200 1.0 S S46 1 0.99637800 0.45496700 0.22676700 1.0 S S47 1 0.79314400 0.05707200 0.02700300 1.0 S S48 1 0.58707600 0.66136100 0.82620500 1.0