# generated using pymatgen data_CsIrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.29811115 _cell_length_b 12.93696808 _cell_length_c 9.45305209 _cell_angle_alpha 90.03854597 _cell_angle_beta 62.65933993 _cell_angle_gamma 128.92534725 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsIrN2 _chemical_formula_sum 'Cs10 Ir10 N20' _cell_volume 791.19672061 _cell_formula_units_Z 10 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 Cs Cs0 1 0.60131400 0.69915700 0.96405100 1.0 Cs Cs1 1 0.39866400 0.30084000 0.56551200 1.0 Cs Cs2 1 0.79687800 0.59774600 0.11634000 1.0 Cs Cs3 1 0.20292000 0.40210400 0.91331500 1.0 Cs Cs4 1 0.58774000 0.20183900 0.73074400 1.0 Cs Cs5 1 0.41218800 0.79814900 0.31852800 1.0 Cs Cs6 1 0.81601400 0.11412100 0.36664300 1.0 Cs Cs7 1 0.18418600 0.88604700 0.18259800 1.0 Cs Cs8 1 0.00003600 0.00008700 0.51366900 1.0 Cs Cs9 1 0.99995700 0.49994200 0.76361500 1.0 Ir Ir10 1 0.00008300 0.50025400 0.26434100 1.0 Ir Ir11 1 0.99953700 0.99955400 0.01493200 1.0 Ir Ir12 1 0.19523100 0.39804900 0.42489700 1.0 Ir Ir13 1 0.80530400 0.60220800 0.61962800 1.0 Ir Ir14 1 0.60117800 0.70273700 0.47205700 1.0 Ir Ir15 1 0.39978500 0.29744000 0.07278800 1.0 Ir Ir16 1 0.39551700 0.80140100 0.81467300 1.0 Ir Ir17 1 0.60449600 0.19903900 0.21072800 1.0 Ir Ir18 1 0.20619100 0.90503700 0.65950500 1.0 Ir Ir19 1 0.79262600 0.09426200 0.86624800 1.0 N N20 1 0.14713200 0.48122100 0.31066100 1.0 N N21 1 0.85229300 0.51812900 0.45818200 1.0 N N22 1 0.81581300 0.83409600 0.22681300 1.0 N N23 1 0.18412900 0.16605000 0.04224100 1.0 N N24 1 0.15871400 0.99276500 0.81331000 1.0 N N25 1 0.84200800 0.00790000 0.97181100 1.0 N N26 1 0.82635000 0.33360400 0.23016600 1.0 N N27 1 0.17429200 0.66615300 0.05574600 1.0 N N28 1 0.31002800 0.34295900 0.26458800 1.0 N N29 1 0.68932400 0.65666300 0.57540000 1.0 N N30 1 0.37543000 0.53251500 0.48239300 1.0 N N31 1 0.62359700 0.46741300 0.85746800 1.0 N N32 1 0.23561200 0.80546600 0.76509800 1.0 N N33 1 0.76491400 0.19503000 0.00003300 1.0 N N34 1 0.37526400 0.07014200 0.44493900 1.0 N N35 1 0.62474700 0.92991400 0.82027000 1.0 N N36 1 0.53084200 0.79538500 0.59242200 1.0 N N37 1 0.46960300 0.20449400 0.12298400 1.0 N N38 1 0.05970800 0.76455500 0.57867300 1.0 N N39 1 0.94035400 0.23553300 0.63778700 1.0