# generated using pymatgen data_Cs3Y2(H2N)9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85874519 _cell_length_b 9.85874519 _cell_length_c 9.85874577 _cell_angle_alpha 95.64789492 _cell_angle_beta 95.64789492 _cell_angle_gamma 95.64789503 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3Y2(H2N)9 _chemical_formula_sum 'Cs6 Y4 H36 N18' _cell_volume 943.26815933 _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 Cs Cs0 1 0.86399100 0.63600900 0.25000000 1.0 Cs Cs1 1 0.25000000 0.86399100 0.63600900 1.0 Cs Cs2 1 0.63600900 0.25000000 0.86399100 1.0 Cs Cs3 1 0.75000000 0.13600900 0.36399100 1.0 Cs Cs4 1 0.36399100 0.75000000 0.13600900 1.0 Cs Cs5 1 0.13600900 0.36399100 0.75000000 1.0 Y Y6 1 0.36194900 0.36194900 0.36194900 1.0 Y Y7 1 0.86194900 0.86194900 0.86194900 1.0 Y Y8 1 0.63805100 0.63805100 0.63805100 1.0 Y Y9 1 0.13805100 0.13805100 0.13805100 1.0 H H10 1 0.37549100 0.06140200 0.31717900 1.0 H H11 1 0.31717900 0.37549100 0.06140200 1.0 H H12 1 0.06140200 0.31717900 0.37549100 1.0 H H13 1 0.81717900 0.56140200 0.87549100 1.0 H H14 1 0.87549100 0.81717900 0.56140200 1.0 H H15 1 0.56140200 0.87549100 0.81717900 1.0 H H16 1 0.62450900 0.93859800 0.68282100 1.0 H H17 1 0.68282100 0.62450900 0.93859800 1.0 H H18 1 0.93859800 0.68282100 0.62450900 1.0 H H19 1 0.18282100 0.43859800 0.12450900 1.0 H H20 1 0.12450900 0.18282100 0.43859800 1.0 H H21 1 0.43859800 0.12450900 0.18282100 1.0 H H22 1 0.45024400 0.90916200 0.41007200 1.0 H H23 1 0.41007200 0.45024400 0.90916200 1.0 H H24 1 0.90916200 0.41007200 0.45024400 1.0 H H25 1 0.91007200 0.40916200 0.95024400 1.0 H H26 1 0.95024400 0.91007200 0.40916200 1.0 H H27 1 0.40916200 0.95024400 0.91007200 1.0 H H28 1 0.54975600 0.09083800 0.58992800 1.0 H H29 1 0.58992800 0.54975600 0.09083800 1.0 H H30 1 0.09083800 0.58992800 0.54975600 1.0 H H31 1 0.08992800 0.59083800 0.04975600 1.0 H H32 1 0.04975600 0.08992800 0.59083800 1.0 H H33 1 0.59083800 0.04975600 0.08992800 1.0 H H34 1 0.99377100 0.92829200 0.35227800 1.0 H H35 1 0.35227800 0.99377000 0.92829200 1.0 H H36 1 0.92829200 0.35227800 0.99377100 1.0 H H37 1 0.85227800 0.42829200 0.49377100 1.0 H H38 1 0.49377100 0.85227800 0.42829200 1.0 H H39 1 0.42829200 0.49377000 0.85227800 1.0 H H40 1 0.00623000 0.07170800 0.64772200 1.0 H H41 1 0.64772200 0.00623000 0.07170800 1.0 H H42 1 0.07170800 0.64772200 0.00623000 1.0 H H43 1 0.14772200 0.57170800 0.50623000 1.0 H H44 1 0.50623000 0.14772200 0.57170800 1.0 H H45 1 0.57170800 0.50622900 0.14772200 1.0 N N46 1 0.36581000 0.13419000 0.25000000 1.0 N N47 1 0.25000000 0.36581000 0.13419000 1.0 N N48 1 0.13419000 0.25000000 0.36581000 1.0 N N49 1 0.75000000 0.63419000 0.86581000 1.0 N N50 1 0.86581000 0.75000000 0.63419000 1.0 N N51 1 0.63419000 0.86581000 0.75000000 1.0 N N52 1 0.08589500 0.00006300 0.89361500 1.0 N N53 1 0.89361500 0.08589500 0.00006300 1.0 N N54 1 0.00006300 0.89361500 0.08589500 1.0 N N55 1 0.39361500 0.50006300 0.58589500 1.0 N N56 1 0.58589500 0.39361500 0.50006300 1.0 N N57 1 0.50006300 0.58589500 0.39361500 1.0 N N58 1 0.91410500 0.99993700 0.10638500 1.0 N N59 1 0.10638500 0.91410500 0.99993700 1.0 N N60 1 0.99993700 0.10638500 0.91410500 1.0 N N61 1 0.60638500 0.49993700 0.41410500 1.0 N N62 1 0.41410500 0.60638500 0.49993700 1.0 N N63 1 0.49993700 0.41410500 0.60638500 1.0