# generated using pymatgen data_MgSc2(Ni10B3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43558768 _cell_length_b 7.43558728 _cell_length_c 7.43558662 _cell_angle_alpha 59.99999430 _cell_angle_beta 59.99999608 _cell_angle_gamma 59.99999811 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSc2(Ni10B3)2 _chemical_formula_sum 'Mg1 Sc2 Ni20 B6' _cell_volume 290.69045838 _cell_formula_units_Z 1 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 Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.75000000 0.75000000 0.75000000 1.0 Sc Sc2 1 0.25000000 0.25000000 0.25000000 1.0 Ni Ni3 1 0.61422905 0.61422905 0.15731186 1.0 Ni Ni4 1 0.61422905 0.15731186 0.61422905 1.0 Ni Ni5 1 0.15731186 0.61422905 0.61422905 1.0 Ni Ni6 1 0.61422905 0.61422905 0.61422905 1.0 Ni Ni7 1 0.38577095 0.38577095 0.84268814 1.0 Ni Ni8 1 0.38577095 0.84268814 0.38577095 1.0 Ni Ni9 1 0.84268814 0.38577095 0.38577095 1.0 Ni Ni10 1 0.38577095 0.38577095 0.38577095 1.0 Ni Ni11 1 1.00000000 1.00000000 0.34189092 1.0 Ni Ni12 1 0.65810908 1.00000000 0.34189092 1.0 Ni Ni13 1 1.00000000 0.65810908 0.34189092 1.0 Ni Ni14 1 0.65810908 0.34189092 1.00000000 1.0 Ni Ni15 1 1.00000000 0.34189092 1.00000000 1.0 Ni Ni16 1 0.00000000 0.34189092 0.65810908 1.0 Ni Ni17 1 0.34189092 0.65810908 0.00000000 1.0 Ni Ni18 1 0.34189092 0.00000000 0.65810908 1.0 Ni Ni19 1 0.34189092 1.00000000 0.00000000 1.0 Ni Ni20 1 0.00000000 0.00000000 0.65810908 1.0 Ni Ni21 1 0.00000000 0.65810908 0.00000000 1.0 Ni Ni22 1 0.65810908 0.00000000 1.00000000 1.0 B B23 1 0.73131813 0.73131813 0.26868187 1.0 B B24 1 0.26868187 0.73131813 0.26868187 1.0 B B25 1 0.73131813 0.26868187 0.26868187 1.0 B B26 1 0.26868187 0.26868187 0.73131813 1.0 B B27 1 0.73131813 0.26868187 0.73131813 1.0 B B28 1 0.26868187 0.73131813 0.73131813 1.0