# generated using pymatgen data_Mg44Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.10608873 _cell_length_b 14.10608840 _cell_length_c 14.10609593 _cell_angle_alpha 59.99998234 _cell_angle_beta 59.99998312 _cell_angle_gamma 59.99996768 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg44Ir7 _chemical_formula_sum 'Mg88 Ir14' _cell_volume 1984.74551142 _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 Mg Mg0 1 0.51907411 0.86894358 0.09290836 1.0 Mg Mg1 1 0.44348093 0.66170540 0.23310924 1.0 Mg Mg2 1 0.85608222 0.64391785 0.64391778 1.0 Mg Mg3 1 0.78462693 0.78462697 -0.00015471 1.0 Mg Mg4 1 0.66170542 0.23310920 0.66170547 1.0 Mg Mg5 1 0.51907405 0.51907406 0.09290837 1.0 Mg Mg6 1 0.66170542 0.44348092 0.23310922 1.0 Mg Mg7 1 0.23310920 0.44348091 0.66170545 1.0 Mg Mg8 1 0.43869573 0.68391317 0.43869555 1.0 Mg Mg9 1 0.28038175 0.91381616 0.28038171 1.0 Mg Mg10 1 0.05187354 0.05187360 0.05187349 1.0 Mg Mg11 1 0.18065516 0.81934488 0.81934485 1.0 Mg Mg12 1 0.08808145 0.30397284 0.30397285 1.0 Mg Mg13 1 0.86894358 0.51907410 0.51907396 1.0 Mg Mg14 1 0.23310918 0.66170543 0.66170549 1.0 Mg Mg15 1 0.66521512 0.02036387 0.29405802 1.0 Mg Mg16 1 0.52542049 0.91381615 0.28038168 1.0 Mg Mg17 1 0.66170542 0.44348092 0.66170544 1.0 Mg Mg18 1 0.09290833 0.51907410 0.51907400 1.0 Mg Mg19 1 0.29405792 0.66521509 0.02036399 1.0 Mg Mg20 1 0.78462692 0.43090177 -0.00015467 1.0 Mg Mg21 1 0.68391317 0.43869565 0.43869559 1.0 Mg Mg22 1 0.84437939 0.05187354 0.05187354 1.0 Mg Mg23 1 0.51907405 0.51907406 0.86894351 1.0 Mg Mg24 1 0.18065516 0.81934488 0.18065512 1.0 Mg Mg25 1 0.23310918 0.66170543 0.44348091 1.0 Mg Mg26 1 0.05187352 0.84437938 0.05187355 1.0 Mg Mg27 1 0.43869565 0.43869563 0.43869554 1.0 Mg Mg28 1 0.09290833 0.51907410 0.86894357 1.0 Mg Mg29 1 0.86894362 0.09290829 0.51907405 1.0 Mg Mg30 1 0.66170545 0.66170546 0.44348086 1.0 Mg Mg31 1 0.02036386 0.66521512 0.02036398 1.0 Mg Mg32 1 0.43869565 0.43869563 0.68391318 1.0 Mg Mg33 1 0.29405796 0.02036390 0.66521520 1.0 Mg Mg34 1 0.66521516 0.29405791 0.02036397 1.0 Mg Mg35 1 0.49718789 0.16760377 0.16760367 1.0 Mg Mg36 1 0.78462692 -0.00015479 0.78462702 1.0 Mg Mg37 1 0.43090180 0.78462694 0.78462696 1.0 Mg Mg38 1 -0.00015472 0.43090178 0.78462697 1.0 Mg Mg39 1 0.30397284 0.08808144 0.30397286 1.0 Mg Mg40 1 0.78462693 0.78462697 0.43090181 1.0 Mg Mg41 1 0.28038175 0.91381616 0.52542038 1.0 Mg Mg42 1 0.81934490 0.18065516 0.18065509 1.0 Mg Mg43 1 0.85608216 0.85608219 0.64391783 1.0 Mg Mg44 1 0.43090180 0.78462694 -0.00015469 1.0 Mg Mg45 1 0.81934487 0.81934486 0.18065514 1.0 Mg Mg46 1 0.16760382 0.16760385 0.16760370 1.0 Mg Mg47 1 0.64391779 0.64391785 0.85608218 1.0 Mg Mg48 1 0.30397282 0.30397280 0.08808152 1.0 Mg Mg49 1 0.28038171 0.52542043 0.28038169 1.0 Mg Mg50 1 0.78462692 -0.00015479 0.43090184 1.0 Mg Mg51 1 0.51907414 0.09290834 0.51907399 1.0 Mg Mg52 1 0.16760378 0.49718787 0.16760368 1.0 Mg Mg53 1 0.29405796 0.02036390 0.02036394 1.0 Mg Mg54 1 0.02036384 0.02036387 0.29405808 1.0 Mg Mg55 1 0.52542044 0.28038173 0.91381616 1.0 Mg Mg56 1 0.81934490 0.18065516 0.81934485 1.0 Mg Mg57 1 0.02036390 0.29405794 0.02036395 1.0 Mg Mg58 1 0.66170542 0.23310920 0.44348091 1.0 Mg Mg59 1 0.66521512 0.02036387 0.02036398 1.0 Mg Mg60 1 0.02036384 0.02036387 0.66521522 1.0 Mg Mg61 1 0.28038171 0.52542043 0.91381617 1.0 Mg Mg62 1 0.86894358 0.51907410 0.09290836 1.0 Mg Mg63 1 0.64391786 0.85608223 0.85608211 1.0 Mg Mg64 1 0.51907414 0.09290834 0.86894353 1.0 Mg Mg65 1 0.28038171 0.28038173 0.91381608 1.0 Mg Mg66 1 0.91381611 0.28038175 0.28038170 1.0 Mg Mg67 1 0.91381611 0.28038175 0.52542043 1.0 Mg Mg68 1 0.52542044 0.28038173 0.28038167 1.0 Mg Mg69 1 0.16760382 0.16760385 0.49718763 1.0 Mg Mg70 1 0.02036390 0.29405794 0.66521521 1.0 Mg Mg71 1 0.44348093 0.66170540 0.66170544 1.0 Mg Mg72 1 0.02036386 0.66521512 0.29405805 1.0 Mg Mg73 1 0.85608222 0.64391785 0.85608214 1.0 Mg Mg74 1 0.78462692 0.43090177 0.78462698 1.0 Mg Mg75 1 -0.00015479 0.78462696 0.78462700 1.0 Mg Mg76 1 0.64391786 0.85608223 0.64391780 1.0 Mg Mg77 1 0.18065513 0.18065516 0.81934486 1.0 Mg Mg78 1 0.05187354 0.05187360 0.84437936 1.0 Mg Mg79 1 0.43090182 -0.00015473 0.78462696 1.0 Mg Mg80 1 0.28038171 0.28038173 0.52542048 1.0 Mg Mg81 1 0.09290831 0.86894361 0.51907404 1.0 Mg Mg82 1 0.66170545 0.66170546 0.23310924 1.0 Mg Mg83 1 0.91381613 0.52542045 0.28038171 1.0 Mg Mg84 1 0.44348094 0.23310917 0.66170544 1.0 Mg Mg85 1 0.51907411 0.86894358 0.51907395 1.0 Mg Mg86 1 -0.00015479 0.78462696 0.43090183 1.0 Mg Mg87 1 0.30397282 0.30397280 0.30397286 1.0 Ir Ir88 1 0.41314537 0.08685470 0.41314519 1.0 Ir Ir89 1 0.24982363 0.91672580 0.91672578 1.0 Ir Ir90 1 0.65154009 0.65154006 0.04538083 1.0 Ir Ir91 1 0.65154015 0.04538067 0.65154009 1.0 Ir Ir92 1 0.91672565 0.91672574 0.24982375 1.0 Ir Ir93 1 0.91672565 0.91672574 0.91672586 1.0 Ir Ir94 1 0.91672567 0.24982371 0.91672581 1.0 Ir Ir95 1 0.08685471 0.08685465 0.41314532 1.0 Ir Ir96 1 0.08685473 0.41314531 0.08685472 1.0 Ir Ir97 1 0.04538072 0.65154017 0.65154005 1.0 Ir Ir98 1 0.65154009 0.65154006 0.65154002 1.0 Ir Ir99 1 0.41314535 0.41314518 0.08685473 1.0 Ir Ir100 1 0.41314537 0.08685470 0.08685474 1.0 Ir Ir101 1 0.08685473 0.41314531 0.41314524 1.0