# generated using pymatgen data_Ac2Pr2P7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01977934 _cell_length_b 12.96503726 _cell_length_c 13.34227029 _cell_angle_alpha 81.10616373 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac2Pr2P7Ir8 _chemical_formula_sum 'Ac4 Pr4 P14 Ir16' _cell_volume 686.99303329 _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 0.10660340 0.78940580 1.0 Ac Ac1 1 0.75000000 0.89339660 0.21059420 1.0 Ac Ac2 1 0.25000000 0.28220331 0.10474235 1.0 Ac Ac3 1 0.75000000 0.71779669 0.89525765 1.0 Pr Pr4 1 0.25000000 0.51756634 0.29355694 1.0 Pr Pr5 1 0.75000000 0.48243366 0.70644306 1.0 Pr Pr6 1 0.25000000 0.21039720 0.44028467 1.0 Pr Pr7 1 0.75000000 0.78960280 0.55971533 1.0 P P8 1 0.25000000 0.05435464 0.09593260 1.0 P P9 1 0.75000000 0.94564536 0.90406740 1.0 P P10 1 0.25000000 0.31855807 0.68432694 1.0 P P11 1 0.75000000 0.68144193 0.31567306 1.0 P P12 1 0.25000000 0.60784851 0.56046171 1.0 P P13 1 0.75000000 0.39215149 0.43953829 1.0 P P14 1 0.25000000 0.84522593 0.71566002 1.0 P P15 1 0.75000000 0.15477407 0.28433998 1.0 P P16 1 0.75000000 0.25834149 0.91437199 1.0 P P17 1 0.25000000 0.74165851 0.08562801 1.0 P P18 1 0.75000000 0.08930981 0.58904788 1.0 P P19 1 0.25000000 0.91069019 0.41095212 1.0 P P20 1 0.75000000 0.47364571 0.12765084 1.0 P P21 1 0.25000000 0.52635429 0.87234916 1.0 Ir Ir22 1 0.25000000 0.98802287 0.57549349 1.0 Ir Ir23 1 0.75000000 0.01197713 0.42450651 1.0 Ir Ir24 1 0.25000000 0.66302246 0.72586000 1.0 Ir Ir25 1 0.75000000 0.33697754 0.27414000 1.0 Ir Ir26 1 0.25000000 0.54728475 0.05147563 1.0 Ir Ir27 1 0.75000000 0.45271525 0.94852437 1.0 Ir Ir28 1 0.25000000 0.06308734 0.27397113 1.0 Ir Ir29 1 0.75000000 0.93691266 0.72602887 1.0 Ir Ir30 1 0.25000000 0.42467561 0.52609148 1.0 Ir Ir31 1 0.75000000 0.57532439 0.47390852 1.0 Ir Ir32 1 0.25000000 0.91628260 0.99989642 1.0 Ir Ir33 1 0.75000000 0.08371740 0.00010358 1.0 Ir Ir34 1 0.25000000 0.72726173 0.39738316 1.0 Ir Ir35 1 0.75000000 0.27273827 0.60261684 1.0 Ir Ir36 1 0.25000000 0.34398310 0.85755363 1.0 Ir Ir37 1 0.75000000 0.65601690 0.14244637 1.0