# generated using pymatgen data_Pa2Al8ZnIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54099991 _cell_length_b 7.54100108 _cell_length_c 9.31093762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.95182462 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Al8ZnIr3 _chemical_formula_sum 'Pa4 Al16 Zn2 Ir6' _cell_volume 463.31122992 _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 0.99745781 0.68504078 0.25000000 1.0 Pa Pa1 1 0.00254219 0.31495922 0.75000000 1.0 Pa Pa2 1 0.68504078 0.99745781 0.25000000 1.0 Pa Pa3 1 0.31495922 0.00254219 0.75000000 1.0 Al Al4 1 0.00583056 0.33873196 0.07813779 1.0 Al Al5 1 0.99416944 0.66126804 0.92186221 1.0 Al Al6 1 0.99416944 0.66126804 0.57813779 1.0 Al Al7 1 0.33873196 0.00583056 0.42186221 1.0 Al Al8 1 0.00583056 0.33873196 0.42186221 1.0 Al Al9 1 0.66126804 0.99416944 0.57813779 1.0 Al Al10 1 0.66126804 0.99416944 0.92186221 1.0 Al Al11 1 0.33873196 0.00583056 0.07813779 1.0 Al Al12 1 0.33536263 0.33536263 0.54449624 1.0 Al Al13 1 0.66463737 0.66463737 0.45550376 1.0 Al Al14 1 0.66463737 0.66463737 0.04449624 1.0 Al Al15 1 0.33536263 0.33536263 0.95550376 1.0 Al Al16 1 0.34441789 0.55141807 0.25000000 1.0 Al Al17 1 0.65558211 0.44858193 0.75000000 1.0 Al Al18 1 0.55141807 0.34441789 0.25000000 1.0 Al Al19 1 0.44858193 0.65558211 0.75000000 1.0 Zn Zn20 1 0.14970294 0.14970294 0.25000000 1.0 Zn Zn21 1 0.85029706 0.85029706 0.75000000 1.0 Ir Ir22 1 0.67332649 0.32667351 0.00000000 1.0 Ir Ir23 1 0.32667351 0.67332649 0.00000000 1.0 Ir Ir24 1 0.32667351 0.67332649 0.50000000 1.0 Ir Ir25 1 0.67332649 0.32667351 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0