# generated using pymatgen data_CeSiNO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07727394 _cell_length_b 7.07727394 _cell_length_c 9.73173900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999940 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeSiNO2 _chemical_formula_sum 'Ce6 Si6 N6 O12' _cell_volume 422.13668860 _cell_formula_units_Z 6 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 0.00000000 0.00000000 0.00000000 1.0 Ce Ce1 1 0.33333300 0.66666700 0.50000000 1.0 Ce Ce2 1 0.66666700 0.33333300 0.00000000 1.0 Ce Ce3 1 0.66666700 0.33333300 0.50000000 1.0 Ce Ce4 1 0.33333300 0.66666700 0.00000000 1.0 Ce Ce5 1 0.00000000 0.00000000 0.50000000 1.0 Si Si6 1 0.75068300 0.00000000 0.25000000 1.0 Si Si7 1 0.24931700 0.24931700 0.25000000 1.0 Si Si8 1 0.75068300 0.75068300 0.75000000 1.0 Si Si9 1 0.00000000 0.75068300 0.25000000 1.0 Si Si10 1 0.24931700 0.00000000 0.75000000 1.0 Si Si11 1 0.00000000 0.24931700 0.75000000 1.0 N N12 1 0.00000000 0.22881400 0.25000000 1.0 N N13 1 0.22881400 0.00000000 0.25000000 1.0 N N14 1 0.77118600 0.77118600 0.25000000 1.0 N N15 1 0.00000000 0.77118600 0.75000000 1.0 N N16 1 0.77118600 0.00000000 0.75000000 1.0 N N17 1 0.22881400 0.22881400 0.75000000 1.0 O O18 1 0.36890400 0.00000000 0.60228100 1.0 O O19 1 0.00000000 0.63109600 0.10228100 1.0 O O20 1 0.63109600 0.63109600 0.60228100 1.0 O O21 1 0.00000000 0.36890400 0.60228100 1.0 O O22 1 0.00000000 0.63109600 0.39771900 1.0 O O23 1 0.36890400 0.36890400 0.39771900 1.0 O O24 1 0.00000000 0.36890400 0.89771900 1.0 O O25 1 0.36890400 0.36890400 0.10228100 1.0 O O26 1 0.63109600 0.63109600 0.89771900 1.0 O O27 1 0.63109600 0.00000000 0.10228100 1.0 O O28 1 0.36890400 0.00000000 0.89771900 1.0 O O29 1 0.63109600 0.00000000 0.39771900 1.0