# generated using pymatgen data_Sc2MnBe2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47177750 _cell_length_b 9.47177750 _cell_length_c 3.06750896 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2MnBe2Ir5 _chemical_formula_sum 'Sc4 Mn2 Be4 Ir10' _cell_volume 275.20024479 _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 0.17624495 0.67624495 0.00000000 1.0 Sc Sc1 1 0.67624495 0.82375505 0.00000000 1.0 Sc Sc2 1 0.32375505 0.17624495 0.00000000 1.0 Sc Sc3 1 0.82375505 0.32375505 0.00000000 1.0 Mn Mn4 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn5 1 0.50000000 0.50000000 0.00000000 1.0 Be Be6 1 0.37619563 0.87619563 0.00000000 1.0 Be Be7 1 0.87619563 0.62380437 0.00000000 1.0 Be Be8 1 0.12380437 0.37619563 0.00000000 1.0 Be Be9 1 0.62380437 0.12380437 0.00000000 1.0 Ir Ir10 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir11 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir12 1 0.29015280 0.43121724 0.50000000 1.0 Ir Ir13 1 0.70984820 0.56878276 0.50000000 1.0 Ir Ir14 1 0.56878276 0.29015280 0.50000000 1.0 Ir Ir15 1 0.43121724 0.70984820 0.50000000 1.0 Ir Ir16 1 0.93121724 0.79015180 0.50000000 1.0 Ir Ir17 1 0.79015180 0.06878276 0.50000000 1.0 Ir Ir18 1 0.20984720 0.93121724 0.50000000 1.0 Ir Ir19 1 0.06878276 0.20984720 0.50000000 1.0