# generated using pymatgen data_CeTl5Cu2(NO2)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.93082700 _cell_length_b 10.93082700 _cell_length_c 10.93082700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeTl5Cu2(NO2)12 _chemical_formula_sum 'Ce2 Tl10 Cu4 N24 O48' _cell_volume 1306.04777184 _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 Ce Ce0 1 0.25000000 0.25000000 0.25000000 1.0 Ce Ce1 1 0.75000000 0.75000000 0.75000000 1.0 Tl Tl2 1 0.50000000 0.50000000 0.00000000 1.0 Tl Tl3 1 0.50000000 0.00000000 0.50000000 1.0 Tl Tl4 1 0.25000000 0.75000000 0.75000000 1.0 Tl Tl5 1 0.75000000 0.25000000 0.25000000 1.0 Tl Tl6 1 0.75000000 0.25000000 0.75000000 1.0 Tl Tl7 1 0.00000000 0.00000000 0.00000000 1.0 Tl Tl8 1 0.75000000 0.75000000 0.25000000 1.0 Tl Tl9 1 0.25000000 0.75000000 0.25000000 1.0 Tl Tl10 1 0.00000000 0.50000000 0.50000000 1.0 Tl Tl11 1 0.25000000 0.25000000 0.75000000 1.0 Cu Cu12 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu13 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu14 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu15 1 0.50000000 0.50000000 0.50000000 1.0 N N16 1 0.50818900 0.50524800 0.69453200 1.0 N N17 1 0.80546800 0.99181100 0.50524800 1.0 N N18 1 0.69453200 0.99181100 0.99475200 1.0 N N19 1 0.50524800 0.80546800 0.99181100 1.0 N N20 1 0.99181100 0.99475200 0.69453200 1.0 N N21 1 0.00524800 0.30546800 0.00818900 1.0 N N22 1 0.30546800 0.00818900 0.00524800 1.0 N N23 1 0.80546800 0.50818900 0.99475200 1.0 N N24 1 0.50524800 0.69453200 0.50818900 1.0 N N25 1 0.00818900 0.49475200 0.19453200 1.0 N N26 1 0.99475200 0.80546800 0.50818900 1.0 N N27 1 0.49181100 0.49475200 0.30546800 1.0 N N28 1 0.50818900 0.99475200 0.80546800 1.0 N N29 1 0.00524800 0.19453200 0.49181100 1.0 N N30 1 0.69453200 0.50818900 0.50524800 1.0 N N31 1 0.49475200 0.19453200 0.00818900 1.0 N N32 1 0.49475200 0.30546800 0.49181100 1.0 N N33 1 0.19453200 0.00818900 0.49475200 1.0 N N34 1 0.99475200 0.69453200 0.99181100 1.0 N N35 1 0.99181100 0.50524800 0.80546800 1.0 N N36 1 0.49181100 0.00524800 0.19453200 1.0 N N37 1 0.00818900 0.00524800 0.30546800 1.0 N N38 1 0.19453200 0.49181100 0.00524800 1.0 N N39 1 0.30546800 0.49181100 0.49475200 1.0 O O40 1 0.50413900 0.25273200 0.90971100 1.0 O O41 1 0.00413900 0.75273200 0.09028900 1.0 O O42 1 0.40971100 0.00413900 0.74726800 1.0 O O43 1 0.24726800 0.59028900 0.50413900 1.0 O O44 1 0.90971100 0.50413900 0.25273200 1.0 O O45 1 0.25263100 0.10281300 0.46036400 1.0 O O46 1 0.39718700 0.46036400 0.24736900 1.0 O O47 1 0.96036400 0.74736900 0.60281300 1.0 O O48 1 0.59028900 0.99586100 0.25273200 1.0 O O49 1 0.03963600 0.25263100 0.39718700 1.0 O O50 1 0.09028900 0.00413900 0.75273200 1.0 O O51 1 0.39718700 0.03963600 0.25263100 1.0 O O52 1 0.74726800 0.40971100 0.00413900 1.0 O O53 1 0.89718700 0.96036400 0.75263100 1.0 O O54 1 0.03963600 0.24736900 0.10281300 1.0 O O55 1 0.90971100 0.99586100 0.24726800 1.0 O O56 1 0.89718700 0.53963600 0.74736900 1.0 O O57 1 0.25273200 0.90971100 0.50413900 1.0 O O58 1 0.09028900 0.49586100 0.74726800 1.0 O O59 1 0.10281300 0.03963600 0.24736900 1.0 O O60 1 0.53963600 0.74736900 0.89718700 1.0 O O61 1 0.25273200 0.59028900 0.99586100 1.0 O O62 1 0.25263100 0.39718700 0.03963600 1.0 O O63 1 0.74726800 0.09028900 0.49586100 1.0 O O64 1 0.00413900 0.74726800 0.40971100 1.0 O O65 1 0.24736900 0.39718700 0.46036400 1.0 O O66 1 0.40971100 0.49586100 0.75273200 1.0 O O67 1 0.99586100 0.25273200 0.59028900 1.0 O O68 1 0.59028900 0.50413900 0.24726800 1.0 O O69 1 0.53963600 0.75263100 0.60281300 1.0 O O70 1 0.74736900 0.60281300 0.96036400 1.0 O O71 1 0.60281300 0.96036400 0.74736900 1.0 O O72 1 0.24726800 0.90971100 0.99586100 1.0 O O73 1 0.75263100 0.89718700 0.96036400 1.0 O O74 1 0.75273200 0.09028900 0.00413900 1.0 O O75 1 0.50413900 0.24726800 0.59028900 1.0 O O76 1 0.74736900 0.89718700 0.53963600 1.0 O O77 1 0.75273200 0.40971100 0.49586100 1.0 O O78 1 0.99586100 0.24726800 0.90971100 1.0 O O79 1 0.49586100 0.74726800 0.09028900 1.0 O O80 1 0.10281300 0.46036400 0.25263100 1.0 O O81 1 0.24736900 0.10281300 0.03963600 1.0 O O82 1 0.46036400 0.24736900 0.39718700 1.0 O O83 1 0.60281300 0.53963600 0.75263100 1.0 O O84 1 0.49586100 0.75273200 0.40971100 1.0 O O85 1 0.96036400 0.75263100 0.89718700 1.0 O O86 1 0.75263100 0.60281300 0.53963600 1.0 O O87 1 0.46036400 0.25263100 0.10281300 1.0