# generated using pymatgen data_MgSc2B2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00389362 _cell_length_b 9.51416013 _cell_length_c 9.51416013 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSc2B2Ir5 _chemical_formula_sum 'Mg2 Sc4 B4 Ir10' _cell_volume 271.91017644 _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 Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.00000000 0.50000000 0.50000000 1.0 Sc Sc2 1 0.00000000 0.17774642 0.67774642 1.0 Sc Sc3 1 0.00000000 0.82225358 0.32225358 1.0 Sc Sc4 1 0.00000000 0.32225358 0.17774642 1.0 Sc Sc5 1 0.00000000 0.67774642 0.82225358 1.0 B B6 1 0.00000000 0.62490240 0.12490240 1.0 B B7 1 0.00000000 0.37509760 0.87509760 1.0 B B8 1 0.00000000 0.87509760 0.62490240 1.0 B B9 1 0.00000000 0.12490240 0.37509760 1.0 Ir Ir10 1 0.50000000 0.06936668 0.21950947 1.0 Ir Ir11 1 0.50000000 0.93063332 0.78049053 1.0 Ir Ir12 1 0.50000000 0.78049053 0.06936668 1.0 Ir Ir13 1 0.50000000 0.43063332 0.71950947 1.0 Ir Ir14 1 0.50000000 0.21950947 0.93063332 1.0 Ir Ir15 1 0.50000000 0.56936668 0.28049053 1.0 Ir Ir16 1 0.50000000 0.71950947 0.56936668 1.0 Ir Ir17 1 0.50000000 0.28049053 0.43063332 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.50000000 0.50000000 0.00000000 1.0