# generated using pymatgen data_Sc2Ni2P3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68519480 _cell_length_b 10.10246910 _cell_length_c 12.32950845 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ni2P3Rh _chemical_formula_sum 'Sc8 Ni8 P12 Rh4' _cell_volume 459.02225603 _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 0.34319473 0.99758602 1.0 Sc Sc1 1 0.25000000 0.15680527 0.49758602 1.0 Sc Sc2 1 0.75000000 0.65680527 0.00241398 1.0 Sc Sc3 1 0.75000000 0.84319473 0.50241398 1.0 Sc Sc4 1 0.25000000 0.42776042 0.71463899 1.0 Sc Sc5 1 0.25000000 0.07223958 0.21463899 1.0 Sc Sc6 1 0.75000000 0.57223958 0.28536101 1.0 Sc Sc7 1 0.75000000 0.92776042 0.78536101 1.0 Ni Ni8 1 0.25000000 0.13119681 0.71727310 1.0 Ni Ni9 1 0.25000000 0.36880319 0.21727310 1.0 Ni Ni10 1 0.75000000 0.86880319 0.28272690 1.0 Ni Ni11 1 0.75000000 0.63119681 0.78272690 1.0 Ni Ni12 1 0.25000000 0.77224038 0.16773894 1.0 Ni Ni13 1 0.25000000 0.72775962 0.66773894 1.0 Ni Ni14 1 0.75000000 0.22775962 0.83226106 1.0 Ni Ni15 1 0.75000000 0.27224038 0.33226106 1.0 P P16 1 0.25000000 0.10494158 0.89465126 1.0 P P17 1 0.25000000 0.39505842 0.39465126 1.0 P P18 1 0.75000000 0.89505842 0.10534874 1.0 P P19 1 0.75000000 0.60494158 0.60534874 1.0 P P20 1 0.25000000 0.73287510 0.84733175 1.0 P P21 1 0.25000000 0.76712490 0.34733175 1.0 P P22 1 0.75000000 0.26712490 0.15266825 1.0 P P23 1 0.75000000 0.23287510 0.65266825 1.0 P P24 1 0.25000000 0.55724105 0.12645942 1.0 P P25 1 0.25000000 0.94275895 0.62645942 1.0 P P26 1 0.75000000 0.44275895 0.87354058 1.0 P P27 1 0.75000000 0.05724105 0.37354058 1.0 Rh Rh28 1 0.25000000 0.89779106 0.97811406 1.0 Rh Rh29 1 0.25000000 0.60220894 0.47811406 1.0 Rh Rh30 1 0.75000000 0.10220894 0.02188594 1.0 Rh Rh31 1 0.75000000 0.39779106 0.52188594 1.0