# generated using pymatgen data_Er3Sc(Ni4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75593193 _cell_length_b 10.62795238 _cell_length_c 12.31990974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3Sc(Ni4P3)2 _chemical_formula_sum 'Er6 Sc2 Ni16 P12' _cell_volume 491.78450224 _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 0.52845213 1.0 Er Er1 1 0.50000000 0.00000000 0.47154787 1.0 Er Er2 1 0.50000000 0.82149815 0.20515928 1.0 Er Er3 1 0.50000000 0.17850185 0.20515928 1.0 Er Er4 1 0.00000000 0.67850185 0.79484072 1.0 Er Er5 1 0.00000000 0.32149815 0.79484072 1.0 Sc Sc6 1 0.50000000 0.50000000 0.15591477 1.0 Sc Sc7 1 0.00000000 0.00000000 0.84408523 1.0 Ni Ni8 1 0.50000000 0.50000000 0.70244285 1.0 Ni Ni9 1 0.00000000 0.00000000 0.29755715 1.0 Ni Ni10 1 0.00000000 0.50000000 0.98554902 1.0 Ni Ni11 1 0.50000000 0.00000000 0.01445098 1.0 Ni Ni12 1 0.50000000 0.33268873 0.99085344 1.0 Ni Ni13 1 0.50000000 0.66731127 0.99085344 1.0 Ni Ni14 1 0.00000000 0.16731127 0.00914656 1.0 Ni Ni15 1 0.00000000 0.83268873 0.00914656 1.0 Ni Ni16 1 0.50000000 0.30012724 0.43198124 1.0 Ni Ni17 1 0.50000000 0.69987276 0.43198124 1.0 Ni Ni18 1 0.00000000 0.19987276 0.56801876 1.0 Ni Ni19 1 0.00000000 0.80012724 0.56801876 1.0 Ni Ni20 1 0.50000000 0.87731444 0.70538958 1.0 Ni Ni21 1 0.50000000 0.12268556 0.70538958 1.0 Ni Ni22 1 0.00000000 0.62268556 0.29461042 1.0 Ni Ni23 1 0.00000000 0.37731444 0.29461042 1.0 P P24 1 0.50000000 0.50000000 0.88012875 1.0 P P25 1 0.00000000 0.00000000 0.11987125 1.0 P P26 1 0.50000000 0.50000000 0.36165473 1.0 P P27 1 0.00000000 0.00000000 0.63834527 1.0 P P28 1 0.50000000 0.31417074 0.61615375 1.0 P P29 1 0.50000000 0.68582926 0.61615375 1.0 P P30 1 0.00000000 0.18582926 0.38384625 1.0 P P31 1 0.00000000 0.81417074 0.38384625 1.0 P P32 1 0.50000000 0.83893367 0.89212545 1.0 P P33 1 0.50000000 0.16106633 0.89212545 1.0 P P34 1 0.00000000 0.66106633 0.10787455 1.0 P P35 1 0.00000000 0.33893367 0.10787455 1.0