# generated using pymatgen data_CeTmS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93902459 _cell_length_b 10.99816952 _cell_length_c 21.46751046 _cell_angle_alpha 78.63580823 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeTmS3 _chemical_formula_sum 'Ce8 Tm8 S24' _cell_volume 911.78334854 _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 Ce Ce0 1 0.25000000 0.30018376 0.53738080 1.0 Ce Ce1 1 0.25000000 0.19072492 0.73305629 1.0 Ce Ce2 1 0.75000000 0.59126433 0.13595540 1.0 Ce Ce3 1 0.75000000 0.80927508 0.26694371 1.0 Ce Ce4 1 0.75000000 0.69981624 0.46261920 1.0 Ce Ce5 1 0.25000000 0.80250001 0.76667425 1.0 Ce Ce6 1 0.75000000 0.19749999 0.23332575 1.0 Ce Ce7 1 0.25000000 0.40873567 0.86404460 1.0 Tm Tm8 1 0.25000000 0.32008003 0.04632872 1.0 Tm Tm9 1 0.75000000 0.94628448 0.58288783 1.0 Tm Tm10 1 0.25000000 0.47008032 0.35058929 1.0 Tm Tm11 1 0.75000000 0.02274502 0.91241916 1.0 Tm Tm12 1 0.75000000 0.67991997 0.95367128 1.0 Tm Tm13 1 0.75000000 0.52991968 0.64941071 1.0 Tm Tm14 1 0.25000000 0.97725498 0.08758084 1.0 Tm Tm15 1 0.25000000 0.05371552 0.41711217 1.0 S S16 1 0.75000000 0.29574057 0.63569853 1.0 S S17 1 0.25000000 0.46451802 0.73010213 1.0 S S18 1 0.25000000 0.04612722 0.63419086 1.0 S S19 1 0.25000000 0.13536163 0.96456139 1.0 S S20 1 0.25000000 0.37494490 0.16284209 1.0 S S21 1 0.25000000 0.55751644 0.55691731 1.0 S S22 1 0.25000000 0.00735048 0.22011414 1.0 S S23 1 0.25000000 0.84209475 0.90124642 1.0 S S24 1 0.25000000 0.85675740 0.51372094 1.0 S S25 1 0.75000000 0.41334546 0.96397236 1.0 S S26 1 0.75000000 0.62505510 0.83715791 1.0 S S27 1 0.75000000 0.95387278 0.36580914 1.0 S S28 1 0.75000000 0.86463837 0.03543861 1.0 S S29 1 0.75000000 0.44248356 0.44308269 1.0 S S30 1 0.75000000 0.15790525 0.09875358 1.0 S S31 1 0.75000000 0.14324260 0.48627906 1.0 S S32 1 0.75000000 0.99264952 0.77988586 1.0 S S33 1 0.75000000 0.53548198 0.26989787 1.0 S S34 1 0.25000000 0.75294266 0.17281132 1.0 S S35 1 0.25000000 0.70425943 0.36430147 1.0 S S36 1 0.75000000 0.24705734 0.82718868 1.0 S S37 1 0.25000000 0.58665454 0.03602764 1.0 S S38 1 0.25000000 0.24548589 0.32422368 1.0 S S39 1 0.75000000 0.75451411 0.67577632 1.0