# generated using pymatgen data_Sc2PaBe2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.44561638 _cell_length_b 9.44561638 _cell_length_c 3.45668420 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2PaBe2Ir5 _chemical_formula_sum 'Sc4 Pa2 Be4 Ir10' _cell_volume 308.40421984 _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 0.67000515 0.17000515 0.00000000 1.0 Sc Sc1 1 0.32999485 0.82999485 0.00000000 1.0 Sc Sc2 1 0.17000515 0.32999485 0.00000000 1.0 Sc Sc3 1 0.82999485 0.67000515 0.00000000 1.0 Pa Pa4 1 0.00000000 0.00000000 0.00000000 1.0 Pa Pa5 1 0.50000000 0.50000000 0.00000000 1.0 Be Be6 1 0.12163245 0.62163245 0.00000000 1.0 Be Be7 1 0.87836755 0.37836755 0.00000000 1.0 Be Be8 1 0.62163245 0.87836755 0.00000000 1.0 Be Be9 1 0.37836755 0.12163245 0.00000000 1.0 Ir Ir10 1 0.21683669 0.07317525 0.50000000 1.0 Ir Ir11 1 0.78316331 0.92682475 0.50000000 1.0 Ir Ir12 1 0.07317525 0.78316331 0.50000000 1.0 Ir Ir13 1 0.71683669 0.42682475 0.50000000 1.0 Ir Ir14 1 0.92682475 0.21683669 0.50000000 1.0 Ir Ir15 1 0.28316331 0.57317525 0.50000000 1.0 Ir Ir16 1 0.57317525 0.71683669 0.50000000 1.0 Ir Ir17 1 0.42682475 0.28316331 0.50000000 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.00000000 0.50000000 0.50000000 1.0