# generated using pymatgen data_Ac2Nd2P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01217036 _cell_length_b 12.94800695 _cell_length_c 13.32296450 _cell_angle_alpha 81.14188894 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac2Nd2P7Ir8 _chemical_formula_sum 'Ac4 Nd4 P14 Ir16' _cell_volume 683.86765678 _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 Ac Ac0 1 0.25000000 0.10671726 0.78889342 1.0 Ac Ac1 1 0.75000000 0.89328274 0.21110658 1.0 Ac Ac2 1 0.25000000 0.28239894 0.10465432 1.0 Ac Ac3 1 0.75000000 0.71760106 0.89534568 1.0 Nd Nd4 1 0.25000000 0.51792010 0.29388170 1.0 Nd Nd5 1 0.75000000 0.48207990 0.70611830 1.0 Nd Nd6 1 0.25000000 0.21018750 0.44070657 1.0 Nd Nd7 1 0.75000000 0.78981250 0.55929343 1.0 P P8 1 0.25000000 0.05436153 0.09631671 1.0 P P9 1 0.75000000 0.94563847 0.90368329 1.0 P P10 1 0.25000000 0.31911764 0.68406148 1.0 P P11 1 0.75000000 0.68088236 0.31593852 1.0 P P12 1 0.25000000 0.60808480 0.56107869 1.0 P P13 1 0.75000000 0.39191520 0.43892131 1.0 P P14 1 0.25000000 0.84454749 0.71501026 1.0 P P15 1 0.75000000 0.15545251 0.28498974 1.0 P P16 1 0.75000000 0.25830533 0.91410944 1.0 P P17 1 0.25000000 0.74169467 0.08589056 1.0 P P18 1 0.75000000 0.08970524 0.58841737 1.0 P P19 1 0.25000000 0.91029476 0.41158263 1.0 P P20 1 0.75000000 0.47347434 0.12834517 1.0 P P21 1 0.25000000 0.52652566 0.87165483 1.0 Ir Ir22 1 0.25000000 0.98777107 0.57527143 1.0 Ir Ir23 1 0.75000000 0.01222893 0.42472857 1.0 Ir Ir24 1 0.25000000 0.66238098 0.72511598 1.0 Ir Ir25 1 0.75000000 0.33761902 0.27488402 1.0 Ir Ir26 1 0.25000000 0.54696853 0.05200356 1.0 Ir Ir27 1 0.75000000 0.45303147 0.94799644 1.0 Ir Ir28 1 0.25000000 0.06364389 0.27430208 1.0 Ir Ir29 1 0.75000000 0.93635611 0.72569792 1.0 Ir Ir30 1 0.25000000 0.42450574 0.52542237 1.0 Ir Ir31 1 0.75000000 0.57549426 0.47457763 1.0 Ir Ir32 1 0.25000000 0.91619107 0.99984330 1.0 Ir Ir33 1 0.75000000 0.08380893 0.00015670 1.0 Ir Ir34 1 0.25000000 0.72721611 0.39801030 1.0 Ir Ir35 1 0.75000000 0.27278389 0.60198970 1.0 Ir Ir36 1 0.25000000 0.34430302 0.85691585 1.0 Ir Ir37 1 0.75000000 0.65569698 0.14308415 1.0