# generated using pymatgen data_InRe4H8NO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.42959100 _cell_length_b 12.42959100 _cell_length_c 6.16033500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRe4H8NO20 _chemical_formula_sum 'In2 Re8 H16 N2 O40' _cell_volume 951.73930749 _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 In In0 1 0.50000000 0.00000000 0.25000000 1.0 In In1 1 0.00000000 0.50000000 0.75000000 1.0 Re Re2 1 0.40726400 0.27481500 0.97793400 1.0 Re Re3 1 0.90726400 0.22518500 0.47793400 1.0 Re Re4 1 0.27481500 0.59273600 0.02206600 1.0 Re Re5 1 0.77481500 0.90726400 0.52206600 1.0 Re Re6 1 0.59273600 0.72518500 0.97793400 1.0 Re Re7 1 0.09273600 0.77481500 0.47793400 1.0 Re Re8 1 0.72518500 0.40726400 0.02206600 1.0 Re Re9 1 0.22518500 0.09273600 0.52206600 1.0 H H10 1 0.51330600 0.19423600 0.52839200 1.0 H H11 1 0.01330600 0.30576400 0.02839200 1.0 H H12 1 0.19423600 0.48669400 0.47160800 1.0 H H13 1 0.69423600 0.01330600 0.97160800 1.0 H H14 1 0.48669400 0.80576400 0.52839200 1.0 H H15 1 0.98669400 0.69423600 0.02839200 1.0 H H16 1 0.80576400 0.51330600 0.47160800 1.0 H H17 1 0.30576400 0.98669400 0.97160800 1.0 H H18 1 0.63505100 0.17227100 0.45638200 1.0 H H19 1 0.13505100 0.32772900 0.95638200 1.0 H H20 1 0.17227100 0.36494900 0.54361800 1.0 H H21 1 0.67227100 0.13505100 0.04361800 1.0 H H22 1 0.36494900 0.82772900 0.45638200 1.0 H H23 1 0.86494900 0.67227100 0.95638200 1.0 H H24 1 0.82772900 0.63505100 0.54361800 1.0 H H25 1 0.32772900 0.86494900 0.04361800 1.0 N N26 1 0.50000000 0.50000000 0.50000000 1.0 N N27 1 0.00000000 0.00000000 0.00000000 1.0 O O28 1 0.43180500 0.13843600 0.04437300 1.0 O O29 1 0.93180500 0.36156400 0.54437300 1.0 O O30 1 0.13843600 0.56819500 0.95562700 1.0 O O31 1 0.63843600 0.93180500 0.45562700 1.0 O O32 1 0.56819500 0.86156400 0.04437300 1.0 O O33 1 0.06819500 0.63843600 0.54437300 1.0 O O34 1 0.86156400 0.43180500 0.95562700 1.0 O O35 1 0.36156400 0.06819500 0.45562700 1.0 O O36 1 0.26926300 0.30104200 0.00220500 1.0 O O37 1 0.76926300 0.19895800 0.50220500 1.0 O O38 1 0.30104200 0.73073700 0.99779500 1.0 O O39 1 0.80104200 0.76926300 0.49779500 1.0 O O40 1 0.73073700 0.69895800 0.00220500 1.0 O O41 1 0.23073700 0.80104200 0.50220500 1.0 O O42 1 0.69895800 0.26926300 0.99779500 1.0 O O43 1 0.19895800 0.23073700 0.49779500 1.0 O O44 1 0.44980700 0.29476200 0.70926300 1.0 O O45 1 0.94980700 0.20523800 0.20926300 1.0 O O46 1 0.29476200 0.55019300 0.29073700 1.0 O O47 1 0.79476200 0.94980700 0.79073700 1.0 O O48 1 0.55019300 0.70523800 0.70926300 1.0 O O49 1 0.05019300 0.79476200 0.20926300 1.0 O O50 1 0.70523800 0.44980700 0.29073700 1.0 O O51 1 0.20523800 0.05019300 0.79073700 1.0 O O52 1 0.47917600 0.35713600 0.15496100 1.0 O O53 1 0.97917600 0.14286400 0.65496100 1.0 O O54 1 0.35713600 0.52082400 0.84503900 1.0 O O55 1 0.85713600 0.97917600 0.34503900 1.0 O O56 1 0.52082400 0.64286400 0.15496100 1.0 O O57 1 0.02082400 0.85713600 0.65496100 1.0 O O58 1 0.64286400 0.47917600 0.84503900 1.0 O O59 1 0.14286400 0.02082400 0.34503900 1.0 O O60 1 0.56003900 0.14529300 0.44468900 1.0 O O61 1 0.06003900 0.35470700 0.94468900 1.0 O O62 1 0.14529300 0.43996100 0.55531100 1.0 O O63 1 0.64529300 0.06003900 0.05531100 1.0 O O64 1 0.43996100 0.85470700 0.44468900 1.0 O O65 1 0.93996100 0.64529300 0.94468900 1.0 O O66 1 0.85470700 0.56003900 0.55531100 1.0 O O67 1 0.35470700 0.93996100 0.05531100 1.0