# generated using pymatgen data_ScFeP3Rh4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79672271 _cell_length_b 10.58115209 _cell_length_c 12.27167869 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFeP3Rh4 _chemical_formula_sum 'Sc4 Fe4 P12 Rh16' _cell_volume 492.99874381 _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 Sc Sc0 1 0.25000000 0.58191922 0.70916576 1.0 Sc Sc1 1 0.25000000 0.91808078 0.20916576 1.0 Sc Sc2 1 0.75000000 0.41808078 0.29083424 1.0 Sc Sc3 1 0.75000000 0.08191922 0.79083424 1.0 Fe Fe4 1 0.25000000 0.46067688 0.93576279 1.0 Fe Fe5 1 0.25000000 0.03932312 0.43576279 1.0 Fe Fe6 1 0.75000000 0.53932312 0.06423721 1.0 Fe Fe7 1 0.75000000 0.96067688 0.56423721 1.0 P P8 1 0.25000000 0.42691786 0.11092234 1.0 P P9 1 0.25000000 0.07308214 0.61092234 1.0 P P10 1 0.75000000 0.57308214 0.88907766 1.0 P P11 1 0.75000000 0.92691786 0.38907766 1.0 P P12 1 0.25000000 0.26548533 0.86709331 1.0 P P13 1 0.25000000 0.23451467 0.36709331 1.0 P P14 1 0.75000000 0.73451467 0.13290669 1.0 P P15 1 0.75000000 0.76548533 0.63290669 1.0 P P16 1 0.25000000 0.59817002 0.38839481 1.0 P P17 1 0.25000000 0.90182998 0.88839481 1.0 P P18 1 0.75000000 0.40182998 0.61160519 1.0 P P19 1 0.75000000 0.09817002 0.11160519 1.0 Rh Rh20 1 0.25000000 0.71262232 0.98669611 1.0 Rh Rh21 1 0.25000000 0.78737768 0.48669611 1.0 Rh Rh22 1 0.75000000 0.28737768 0.01330389 1.0 Rh Rh23 1 0.75000000 0.21262232 0.51330389 1.0 Rh Rh24 1 0.25000000 0.40792147 0.47724181 1.0 Rh Rh25 1 0.25000000 0.09207853 0.97724181 1.0 Rh Rh26 1 0.75000000 0.59207853 0.52275819 1.0 Rh Rh27 1 0.75000000 0.90792147 0.02275819 1.0 Rh Rh28 1 0.25000000 0.23200608 0.17709203 1.0 Rh Rh29 1 0.25000000 0.26799392 0.67709203 1.0 Rh Rh30 1 0.75000000 0.76799392 0.82290797 1.0 Rh Rh31 1 0.75000000 0.73200608 0.32290797 1.0 Rh Rh32 1 0.25000000 0.88527078 0.70236473 1.0 Rh Rh33 1 0.25000000 0.61472922 0.20236473 1.0 Rh Rh34 1 0.75000000 0.11472922 0.29763527 1.0 Rh Rh35 1 0.75000000 0.38527078 0.79763527 1.0