# generated using pymatgen data_Ni2N11Cl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26839900 _cell_length_b 8.32666500 _cell_length_c 9.48439500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni2N11Cl8 _chemical_formula_sum 'Ni2 N11 Cl8' _cell_volume 495.03665555 _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 Ni Ni0 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni1 1 0.50000000 0.50000000 0.50000000 1.0 N N2 1 0.00000000 0.77269700 0.00000000 1.0 N N3 1 0.50000000 0.27093600 0.50000000 1.0 N N4 1 0.50000000 0.72906400 0.50000000 1.0 N N5 1 0.00000000 0.22730300 0.00000000 1.0 N N6 1 0.50000000 0.64234200 0.00000000 1.0 N N7 1 0.00000000 0.14284100 0.50000000 1.0 N N8 1 0.00000000 0.85715900 0.50000000 1.0 N N9 1 0.50000000 0.35765800 0.00000000 1.0 N N10 1 0.50000000 0.00000000 0.00000000 1.0 N N11 1 0.50000000 0.50000000 0.00000000 1.0 N N12 1 0.00000000 0.00000000 0.50000000 1.0 Cl Cl13 1 0.26021500 0.50000000 0.66915700 1.0 Cl Cl14 1 0.73563800 0.00000000 0.16287600 1.0 Cl Cl15 1 0.26436200 0.00000000 0.83712400 1.0 Cl Cl16 1 0.73978500 0.50000000 0.33084300 1.0 Cl Cl17 1 0.73978500 0.50000000 0.66915700 1.0 Cl Cl18 1 0.26436200 0.00000000 0.16287600 1.0 Cl Cl19 1 0.73563800 0.00000000 0.83712400 1.0 Cl Cl20 1 0.26021500 0.50000000 0.33084300 1.0