# generated using pymatgen data_CsMnN9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67246148 _cell_length_b 6.48703179 _cell_length_c 15.72403645 _cell_angle_alpha 68.90215403 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsMnN9 _chemical_formula_sum 'Cs4 Mn4 N36' _cell_volume 730.14833473 _cell_formula_units_Z 4 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 0.61062877 0.07065007 0.14552982 1.0 Cs Cs1 1 0.88937123 0.07065007 0.64552982 1.0 Cs Cs2 1 0.38937123 0.92934993 0.85447018 1.0 Cs Cs3 1 0.11062877 0.92934993 0.35447018 1.0 Mn Mn4 1 0.05929252 0.43824914 0.11070134 1.0 Mn Mn5 1 0.44070748 0.43824914 0.61070134 1.0 Mn Mn6 1 0.94070748 0.56175086 0.88929866 1.0 Mn Mn7 1 0.55929252 0.56175086 0.38929866 1.0 N N8 1 0.82257309 0.50927489 0.02193025 1.0 N N9 1 0.67742691 0.50927489 0.52193025 1.0 N N10 1 0.17742691 0.49072511 0.97806975 1.0 N N11 1 0.32257309 0.49072511 0.47806975 1.0 N N12 1 0.70612686 0.61939222 0.03379827 1.0 N N13 1 0.79387314 0.61939222 0.53379827 1.0 N N14 1 0.29387314 0.38060778 0.96620173 1.0 N N15 1 0.20612686 0.38060778 0.46620173 1.0 N N16 1 0.59191895 0.72245024 0.04656074 1.0 N N17 1 0.90808105 0.72245024 0.54656074 1.0 N N18 1 0.40808105 0.27754976 0.95343926 1.0 N N19 1 0.09191895 0.27754976 0.45343926 1.0 N N20 1 0.88891762 0.37817669 0.23141165 1.0 N N21 1 0.61108238 0.37817669 0.73141165 1.0 N N22 1 0.11108238 0.62182331 0.76858835 1.0 N N23 1 0.38891762 0.62182331 0.26858835 1.0 N N24 1 0.84259162 0.49989081 0.26731738 1.0 N N25 1 0.65740838 0.49989081 0.76731738 1.0 N N26 1 0.15740838 0.50010919 0.73268262 1.0 N N27 1 0.34259162 0.50010919 0.23268262 1.0 N N28 1 0.79561494 0.62046867 0.30374998 1.0 N N29 1 0.70438506 0.62046867 0.80374998 1.0 N N30 1 0.20438506 0.37953133 0.69625002 1.0 N N31 1 0.29561494 0.37953133 0.19625002 1.0 N N32 1 0.04906448 0.08118746 0.14080157 1.0 N N33 1 0.45093552 0.08118746 0.64080157 1.0 N N34 1 0.95093552 0.91881254 0.85919843 1.0 N N35 1 0.54906448 0.91881254 0.35919843 1.0 N N36 1 0.06411454 0.93601801 0.11271495 1.0 N N37 1 0.43588546 0.93601801 0.61271495 1.0 N N38 1 0.93588546 0.06398199 0.88728505 1.0 N N39 1 0.56411454 0.06398199 0.38728505 1.0 N N40 1 0.07827760 0.79147133 0.08498552 1.0 N N41 1 0.42172240 0.79147133 0.58498552 1.0 N N42 1 0.92172240 0.20852867 0.91501448 1.0 N N43 1 0.57827760 0.20852867 0.41501448 1.0