# generated using pymatgen data_Mg29Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.06002715 _cell_length_b 14.06002699 _cell_length_c 14.06002771 _cell_angle_alpha 59.99999828 _cell_angle_beta 59.99999865 _cell_angle_gamma 60.00000009 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg29Ir4 _chemical_formula_sum 'Mg87 Ir12' _cell_volume 1965.36619799 _cell_formula_units_Z 3 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 0.15965856 0.15965856 0.94379577 1.0 Mg Mg1 1 0.15965856 0.94379577 0.73688810 1.0 Mg Mg2 1 0.73688810 0.15965856 0.15965856 1.0 Mg Mg3 1 0.15965856 0.73688810 0.15965856 1.0 Mg Mg4 1 0.94379577 0.15965856 0.73688810 1.0 Mg Mg5 1 0.94379577 0.73688810 0.15965856 1.0 Mg Mg6 1 0.73688810 0.94379577 0.15965856 1.0 Mg Mg7 1 0.94379577 0.15965856 0.15965856 1.0 Mg Mg8 1 0.15965856 0.94379577 0.15965856 1.0 Mg Mg9 1 0.73688810 0.15965856 0.94379577 1.0 Mg Mg10 1 0.15965856 0.73688810 0.94379577 1.0 Mg Mg11 1 0.15965856 0.15965856 0.73688810 1.0 Mg Mg12 1 0.76878341 0.76878341 0.43204889 1.0 Mg Mg13 1 0.76878341 0.43204889 0.03038429 1.0 Mg Mg14 1 0.03038429 0.76878341 0.76878341 1.0 Mg Mg15 1 0.76878341 0.03038429 0.76878341 1.0 Mg Mg16 1 0.43204889 0.76878341 0.03038429 1.0 Mg Mg17 1 0.43204889 0.03038429 0.76878341 1.0 Mg Mg18 1 0.03038429 0.43204889 0.76878341 1.0 Mg Mg19 1 0.43204889 0.76878341 0.76878341 1.0 Mg Mg20 1 0.76878341 0.43204889 0.76878341 1.0 Mg Mg21 1 0.03038429 0.76878341 0.43204889 1.0 Mg Mg22 1 0.76878341 0.03038429 0.43204889 1.0 Mg Mg23 1 0.76878341 0.76878341 0.03038429 1.0 Mg Mg24 1 0.28409249 0.28409249 0.93073141 1.0 Mg Mg25 1 0.28409249 0.93073141 0.50108360 1.0 Mg Mg26 1 0.50108360 0.28409249 0.28409249 1.0 Mg Mg27 1 0.28409249 0.50108360 0.28409249 1.0 Mg Mg28 1 0.93073141 0.28409249 0.50108360 1.0 Mg Mg29 1 0.93073141 0.50108360 0.28409249 1.0 Mg Mg30 1 0.50108360 0.93073141 0.28409249 1.0 Mg Mg31 1 0.93073141 0.28409249 0.28409249 1.0 Mg Mg32 1 0.28409249 0.93073141 0.28409249 1.0 Mg Mg33 1 0.50108360 0.28409249 0.93073141 1.0 Mg Mg34 1 0.28409249 0.50108360 0.93073141 1.0 Mg Mg35 1 0.28409249 0.28409249 0.50108360 1.0 Mg Mg36 1 0.52148220 0.52148220 0.78425424 1.0 Mg Mg37 1 0.52148220 0.78425424 0.17278136 1.0 Mg Mg38 1 0.17278136 0.52148220 0.52148220 1.0 Mg Mg39 1 0.52148220 0.17278136 0.52148220 1.0 Mg Mg40 1 0.78425424 0.52148220 0.17278136 1.0 Mg Mg41 1 0.78425424 0.17278136 0.52148220 1.0 Mg Mg42 1 0.17278136 0.78425424 0.52148220 1.0 Mg Mg43 1 0.78425424 0.52148220 0.52148220 1.0 Mg Mg44 1 0.52148220 0.78425424 0.52148220 1.0 Mg Mg45 1 0.17278136 0.52148220 0.78425424 1.0 Mg Mg46 1 0.52148220 0.17278136 0.78425424 1.0 Mg Mg47 1 0.52148220 0.52148220 0.17278136 1.0 Mg Mg48 1 0.01976682 0.01976682 0.36684954 1.0 Mg Mg49 1 0.01976682 0.36684954 0.59361682 1.0 Mg Mg50 1 0.59361682 0.01976682 0.01976682 1.0 Mg Mg51 1 0.01976682 0.59361682 0.01976682 1.0 Mg Mg52 1 0.36684954 0.01976682 0.59361682 1.0 Mg Mg53 1 0.36684954 0.59361682 0.01976682 1.0 Mg Mg54 1 0.59361682 0.36684954 0.01976682 1.0 Mg Mg55 1 0.36684954 0.01976682 0.01976682 1.0 Mg Mg56 1 0.01976682 0.36684954 0.01976682 1.0 Mg Mg57 1 0.59361682 0.01976682 0.36684954 1.0 Mg Mg58 1 0.01976682 0.59361682 0.36684954 1.0 Mg Mg59 1 0.01976682 0.01976682 0.59361682 1.0 Mg Mg60 1 0.35650628 0.14349372 0.14349372 1.0 Mg Mg61 1 0.14349372 0.14349372 0.35650628 1.0 Mg Mg62 1 0.35650628 0.35650628 0.14349372 1.0 Mg Mg63 1 0.14349372 0.35650628 0.35650628 1.0 Mg Mg64 1 0.14349372 0.35650628 0.14349372 1.0 Mg Mg65 1 0.35650628 0.14349372 0.35650628 1.0 Mg Mg66 1 0.86629461 0.63370539 0.63370539 1.0 Mg Mg67 1 0.63370539 0.63370539 0.86629461 1.0 Mg Mg68 1 0.86629461 0.86629461 0.63370539 1.0 Mg Mg69 1 0.63370539 0.86629461 0.86629461 1.0 Mg Mg70 1 0.63370539 0.86629461 0.63370539 1.0 Mg Mg71 1 0.86629461 0.63370539 0.86629461 1.0 Mg Mg72 1 0.67943450 0.32056550 0.32056550 1.0 Mg Mg73 1 0.32056550 0.32056550 0.67943450 1.0 Mg Mg74 1 0.67943450 0.67943450 0.32056550 1.0 Mg Mg75 1 0.32056550 0.67943450 0.67943450 1.0 Mg Mg76 1 0.32056550 0.67943450 0.32056550 1.0 Mg Mg77 1 0.67943450 0.32056550 0.67943450 1.0 Mg Mg78 1 0.55118968 0.55118968 0.55118968 1.0 Mg Mg79 1 0.55118968 0.55118968 0.34642896 1.0 Mg Mg80 1 0.34642896 0.55118968 0.55118968 1.0 Mg Mg81 1 0.55118968 0.34642896 0.55118968 1.0 Mg Mg82 1 0.91491523 0.91491523 0.91491523 1.0 Mg Mg83 1 0.91491523 0.91491523 0.25525231 1.0 Mg Mg84 1 0.25525231 0.91491523 0.91491523 1.0 Mg Mg85 1 0.91491523 0.25525231 0.91491523 1.0 Mg Mg86 1 0.00000000 -0.00000000 -0.00000000 1.0 Ir Ir87 1 0.15072122 0.15072122 0.15072122 1.0 Ir Ir88 1 0.15072122 0.15072122 0.54783534 1.0 Ir Ir89 1 0.54783534 0.15072122 0.15072122 1.0 Ir Ir90 1 0.15072122 0.54783534 0.15072122 1.0 Ir Ir91 1 0.41756169 0.41756169 0.41756169 1.0 Ir Ir92 1 0.41756169 0.41756169 0.74731293 1.0 Ir Ir93 1 0.74731293 0.41756169 0.41756169 1.0 Ir Ir94 1 0.41756169 0.74731293 0.41756169 1.0 Ir Ir95 1 0.65483630 0.65483630 0.65483630 1.0 Ir Ir96 1 0.65483630 0.65483630 0.03549009 1.0 Ir Ir97 1 0.03549009 0.65483630 0.65483630 1.0 Ir Ir98 1 0.65483630 0.03549009 0.65483630 1.0