# generated using pymatgen data_Sc3Cr(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62940315 _cell_length_b 10.37973010 _cell_length_c 12.06036165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Cr(Ni4P3)2 _chemical_formula_sum 'Sc6 Cr2 Ni16 P12' _cell_volume 454.34065960 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.52579645 1.0 Sc Sc1 1 0.50000000 0.00000000 0.47420355 1.0 Sc Sc2 1 0.50000000 0.81985626 0.20728643 1.0 Sc Sc3 1 0.50000000 0.18014374 0.20728643 1.0 Sc Sc4 1 0.00000000 0.68014374 0.79271357 1.0 Sc Sc5 1 0.00000000 0.31985626 0.79271357 1.0 Cr Cr6 1 0.50000000 0.50000000 0.15792587 1.0 Cr Cr7 1 0.00000000 0.00000000 0.84207413 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70028356 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29971644 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98498803 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01501197 1.0 Ni Ni12 1 0.50000000 0.33281423 0.98843380 1.0 Ni Ni13 1 0.50000000 0.66718577 0.98843380 1.0 Ni Ni14 1 0.00000000 0.16718577 0.01156620 1.0 Ni Ni15 1 0.00000000 0.83281423 0.01156620 1.0 Ni Ni16 1 0.50000000 0.30153498 0.43139750 1.0 Ni Ni17 1 0.50000000 0.69846502 0.43139750 1.0 Ni Ni18 1 0.00000000 0.19846502 0.56860250 1.0 Ni Ni19 1 0.00000000 0.80153498 0.56860250 1.0 Ni Ni20 1 0.50000000 0.87666252 0.70734502 1.0 Ni Ni21 1 0.50000000 0.12333748 0.70734502 1.0 Ni Ni22 1 0.00000000 0.62333748 0.29265498 1.0 Ni Ni23 1 0.00000000 0.37666252 0.29265498 1.0 P P24 1 0.50000000 0.50000000 0.87534047 1.0 P P25 1 0.00000000 0.00000000 0.12465953 1.0 P P26 1 0.50000000 0.50000000 0.35504745 1.0 P P27 1 0.00000000 0.00000000 0.64495255 1.0 P P28 1 0.50000000 0.31702886 0.61662074 1.0 P P29 1 0.50000000 0.68297114 0.61662074 1.0 P P30 1 0.00000000 0.18297114 0.38337926 1.0 P P31 1 0.00000000 0.81702886 0.38337926 1.0 P P32 1 0.50000000 0.84367286 0.88867053 1.0 P P33 1 0.50000000 0.15632714 0.88867053 1.0 P P34 1 0.00000000 0.65632714 0.11132947 1.0 P P35 1 0.00000000 0.34367286 0.11132947 1.0