# generated using pymatgen data_Pa2TiBe2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.37439335 _cell_length_b 9.37439335 _cell_length_c 3.54768218 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2TiBe2Ir5 _chemical_formula_sum 'Pa4 Ti2 Be4 Ir10' _cell_volume 311.76765172 _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 Pa Pa0 1 0.67793989 0.17793989 0.00000000 1.0 Pa Pa1 1 0.32206011 0.82206011 0.00000000 1.0 Pa Pa2 1 0.17793989 0.32206011 0.00000000 1.0 Pa Pa3 1 0.82206011 0.67793989 0.00000000 1.0 Ti Ti4 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti5 1 0.50000000 0.50000000 0.00000000 1.0 Be Be6 1 0.11703700 0.61703700 0.00000000 1.0 Be Be7 1 0.88296300 0.38296300 0.00000000 1.0 Be Be8 1 0.61703700 0.88296300 0.00000000 1.0 Be Be9 1 0.38296300 0.11703700 0.00000000 1.0 Ir Ir10 1 0.21330492 0.07225253 0.50000000 1.0 Ir Ir11 1 0.78669508 0.92774747 0.50000000 1.0 Ir Ir12 1 0.07225253 0.78669508 0.50000000 1.0 Ir Ir13 1 0.71330492 0.42774747 0.50000000 1.0 Ir Ir14 1 0.92774747 0.21330492 0.50000000 1.0 Ir Ir15 1 0.28669508 0.57225253 0.50000000 1.0 Ir Ir16 1 0.57225253 0.71330492 0.50000000 1.0 Ir Ir17 1 0.42774747 0.28669508 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