# generated using pymatgen data_Ba2Ni(NO2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32178242 _cell_length_b 7.32178242 _cell_length_c 7.32178242 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Ni(NO2)6 _chemical_formula_sum 'Ba2 Ni1 N6 O12' _cell_volume 277.54631078 _cell_formula_units_Z 1 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 Ba Ba0 1 0.25000000 0.25000000 0.25000000 1.0 Ba Ba1 1 0.75000000 0.75000000 0.75000000 1.0 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1.0 N N3 1 0.81552900 0.81552900 0.18447100 1.0 N N4 1 0.81552900 0.18447100 0.81552900 1.0 N N5 1 0.18447100 0.81552900 0.18447100 1.0 N N6 1 0.18447100 0.18447100 0.81552900 1.0 N N7 1 0.18447100 0.81552900 0.81552900 1.0 N N8 1 0.81552900 0.18447100 0.18447100 1.0 O O9 1 0.33230500 0.66769500 0.00000000 1.0 O O10 1 0.00000000 0.66769500 0.33230500 1.0 O O11 1 0.33230500 0.00000000 0.66769500 1.0 O O12 1 0.66769500 0.33230500 0.00000000 1.0 O O13 1 0.00000000 0.66769500 0.00000000 1.0 O O14 1 0.66769500 0.00000000 0.00000000 1.0 O O15 1 0.00000000 0.00000000 0.33230500 1.0 O O16 1 0.00000000 0.00000000 0.66769500 1.0 O O17 1 0.00000000 0.33230500 0.00000000 1.0 O O18 1 0.66769500 0.00000000 0.33230500 1.0 O O19 1 0.33230500 0.00000000 0.00000000 1.0 O O20 1 0.00000000 0.33230500 0.66769500 1.0