# generated using pymatgen data_Na3SiNiCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46071100 _cell_length_b 5.22291800 _cell_length_c 9.07712992 _cell_angle_alpha 87.86978676 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3SiNiCO7 _chemical_formula_sum 'Na6 Si2 Ni2 C2 O14' _cell_volume 306.08485584 _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 Na Na0 1 0.75000000 0.23149900 0.91267700 1.0 Na Na1 1 0.98810800 0.74750700 0.72807500 1.0 Na Na2 1 0.51189200 0.74750700 0.72807500 1.0 Na Na3 1 0.48810800 0.25249300 0.27192500 1.0 Na Na4 1 0.01189200 0.25249300 0.27192500 1.0 Na Na5 1 0.25000000 0.76850100 0.08732300 1.0 Si Si6 1 0.75000000 0.29437300 0.56974400 1.0 Si Si7 1 0.25000000 0.70562700 0.43025600 1.0 Ni Ni8 1 0.25000000 0.21625500 0.65531100 1.0 Ni Ni9 1 0.75000000 0.78374500 0.34468900 1.0 C C10 1 0.25000000 0.28259800 0.93828500 1.0 C C11 1 0.75000000 0.71740200 0.06171500 1.0 O O12 1 0.75000000 0.73385700 0.91984100 1.0 O O13 1 0.25000000 0.07067300 0.86530200 1.0 O O14 1 0.25000000 0.49846300 0.86566700 1.0 O O15 1 0.94582600 0.23109500 0.68362400 1.0 O O16 1 0.55417400 0.23109500 0.68362400 1.0 O O17 1 0.75000000 0.60898500 0.53387700 1.0 O O18 1 0.25000000 0.85982200 0.57997400 1.0 O O19 1 0.75000000 0.14017800 0.42002600 1.0 O O20 1 0.25000000 0.39101500 0.46612300 1.0 O O21 1 0.44582600 0.76890500 0.31637600 1.0 O O22 1 0.05417400 0.76890500 0.31637600 1.0 O O23 1 0.75000000 0.50153700 0.13433300 1.0 O O24 1 0.75000000 0.92932700 0.13469800 1.0 O O25 1 0.25000000 0.26614300 0.08015900 1.0