# generated using pymatgen data_NaCr6O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82414789 _cell_length_b 5.82414789 _cell_length_c 12.99973200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999879 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCr6O11 _chemical_formula_sum 'Na2 Cr12 O22' _cell_volume 381.88255989 _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 0.33333300 0.66666700 0.25000000 1.0 Na Na1 1 0.66666700 0.33333300 0.75000000 1.0 Cr Cr2 1 0.00000000 0.50000000 0.00000000 1.0 Cr Cr3 1 0.33333300 0.66666700 0.75000000 1.0 Cr Cr4 1 0.00000000 0.00000000 0.14581600 1.0 Cr Cr5 1 0.00000000 0.00000000 0.35418400 1.0 Cr Cr6 1 0.00000000 0.00000000 0.64581600 1.0 Cr Cr7 1 0.00000000 0.00000000 0.85418400 1.0 Cr Cr8 1 0.50000000 0.00000000 0.00000000 1.0 Cr Cr9 1 0.50000000 0.50000000 0.00000000 1.0 Cr Cr10 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr11 1 0.66666700 0.33333300 0.25000000 1.0 Cr Cr12 1 0.50000000 0.00000000 0.50000000 1.0 Cr Cr13 1 0.00000000 0.50000000 0.50000000 1.0 O O14 1 0.15431100 0.84568900 0.75000000 1.0 O O15 1 0.17550500 0.82449500 0.42237700 1.0 O O16 1 0.17550500 0.82449500 0.07762300 1.0 O O17 1 0.33333300 0.66666700 0.91310100 1.0 O O18 1 0.33333300 0.66666700 0.58689900 1.0 O O19 1 0.15431100 0.30862200 0.75000000 1.0 O O20 1 0.17550500 0.35101000 0.42237700 1.0 O O21 1 0.17550500 0.35101000 0.07762300 1.0 O O22 1 0.30862200 0.15431100 0.25000000 1.0 O O23 1 0.64899000 0.82449500 0.07762300 1.0 O O24 1 0.64899000 0.82449500 0.42237700 1.0 O O25 1 0.35101000 0.17550500 0.92237700 1.0 O O26 1 0.35101000 0.17550500 0.57762300 1.0 O O27 1 0.69137800 0.84568900 0.75000000 1.0 O O28 1 0.84568900 0.69137800 0.25000000 1.0 O O29 1 0.66666700 0.33333300 0.08689900 1.0 O O30 1 0.82449500 0.64899000 0.57762300 1.0 O O31 1 0.66666700 0.33333300 0.41310100 1.0 O O32 1 0.82449500 0.64899000 0.92237700 1.0 O O33 1 0.82449500 0.17550500 0.57762300 1.0 O O34 1 0.82449500 0.17550500 0.92237700 1.0 O O35 1 0.84568900 0.15431100 0.25000000 1.0