# generated using pymatgen data_Er3Mn8NiP6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65331260 _cell_length_b 10.80233860 _cell_length_c 12.70259118 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Mn8NiP6 _chemical_formula_sum 'Er6 Mn16 Ni2 P12' _cell_volume 501.29911967 _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 Er Er0 1 0.00000000 0.50000000 0.53303285 1.0 Er Er1 1 0.50000000 0.00000000 0.46696715 1.0 Er Er2 1 0.50000000 0.82365621 0.20706849 1.0 Er Er3 1 0.50000000 0.17634379 0.20706849 1.0 Er Er4 1 0.00000000 0.67634379 0.79293151 1.0 Er Er5 1 0.00000000 0.32365621 0.79293151 1.0 Mn Mn6 1 0.00000000 0.50000000 0.99263463 1.0 Mn Mn7 1 0.50000000 0.00000000 0.00736537 1.0 Mn Mn8 1 0.50000000 0.29580539 0.43552314 1.0 Mn Mn9 1 0.50000000 0.70419461 0.43552314 1.0 Mn Mn10 1 0.00000000 0.20419461 0.56447686 1.0 Mn Mn11 1 0.00000000 0.79580539 0.56447686 1.0 Mn Mn12 1 0.50000000 0.87922856 0.69605917 1.0 Mn Mn13 1 0.50000000 0.12077144 0.69605917 1.0 Mn Mn14 1 0.00000000 0.62077144 0.30394083 1.0 Mn Mn15 1 0.00000000 0.37922856 0.30394083 1.0 Mn Mn16 1 0.50000000 0.33352018 0.99663445 1.0 Mn Mn17 1 0.50000000 0.66647982 0.99663445 1.0 Mn Mn18 1 0.00000000 0.16647982 0.00336555 1.0 Mn Mn19 1 0.00000000 0.83352018 0.00336555 1.0 Mn Mn20 1 0.50000000 0.50000000 0.16982881 1.0 Mn Mn21 1 0.00000000 0.00000000 0.83017119 1.0 Ni Ni22 1 0.50000000 0.50000000 0.70603893 1.0 Ni Ni23 1 0.00000000 0.00000000 0.29396107 1.0 P P24 1 0.50000000 0.32163511 0.61901798 1.0 P P25 1 0.50000000 0.67836489 0.61901798 1.0 P P26 1 0.00000000 0.17836489 0.38098202 1.0 P P27 1 0.00000000 0.82163511 0.38098202 1.0 P P28 1 0.50000000 0.50000000 0.87832060 1.0 P P29 1 0.00000000 0.00000000 0.12167940 1.0 P P30 1 0.50000000 0.84102872 0.88475818 1.0 P P31 1 0.50000000 0.15897128 0.88475818 1.0 P P32 1 0.00000000 0.65897128 0.11524182 1.0 P P33 1 0.00000000 0.34102872 0.11524182 1.0 P P34 1 0.50000000 0.50000000 0.36568267 1.0 P P35 1 0.00000000 0.00000000 0.63431733 1.0