# generated using pymatgen data_Li7NiN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62189800 _cell_length_b 9.62189800 _cell_length_c 9.62189800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7NiN4 _chemical_formula_sum 'Li56 Ni8 N32' _cell_volume 890.80417979 _cell_formula_units_Z 8 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 Li Li0 1 0.50000000 0.75964600 0.50000000 1.0 Li Li1 1 0.75853000 0.00637900 0.24840200 1.0 Li Li2 1 0.24434900 0.75565100 0.75565100 1.0 Li Li3 1 0.00000000 0.74035400 0.00000000 1.0 Li Li4 1 0.24147000 0.99362100 0.24840200 1.0 Li Li5 1 0.75565100 0.75565100 0.24434900 1.0 Li Li6 1 0.00000000 0.00000000 0.74035400 1.0 Li Li7 1 0.50637900 0.74147000 0.25159800 1.0 Li Li8 1 0.50000000 0.24035400 0.50000000 1.0 Li Li9 1 0.25853000 0.25159800 0.49362100 1.0 Li Li10 1 0.50000000 0.00000000 0.50000000 1.0 Li Li11 1 0.74840200 0.49362100 0.74147000 1.0 Li Li12 1 0.75964600 0.50000000 0.50000000 1.0 Li Li13 1 0.25853000 0.74840200 0.50637900 1.0 Li Li14 1 0.24434900 0.24434900 0.24434900 1.0 Li Li15 1 0.00000000 0.25964600 0.00000000 1.0 Li Li16 1 0.25565100 0.74434900 0.25565100 1.0 Li Li17 1 0.25000000 0.00000000 0.50000000 1.0 Li Li18 1 0.50000000 0.50000000 0.00000000 1.0 Li Li19 1 0.25565100 0.25565100 0.74434900 1.0 Li Li20 1 0.50000000 0.50000000 0.24035400 1.0 Li Li21 1 0.25159800 0.50637900 0.74147000 1.0 Li Li22 1 0.74035400 0.00000000 0.00000000 1.0 Li Li23 1 0.74434900 0.74434900 0.74434900 1.0 Li Li24 1 0.00000000 0.50000000 0.75000000 1.0 Li Li25 1 0.74840200 0.50637900 0.25853000 1.0 Li Li26 1 0.00000000 0.50000000 0.50000000 1.0 Li Li27 1 0.00000000 0.50000000 0.00000000 1.0 Li Li28 1 0.00637900 0.24840200 0.75853000 1.0 Li Li29 1 0.00000000 0.00000000 0.25964600 1.0 Li Li30 1 0.75565100 0.24434900 0.75565100 1.0 Li Li31 1 0.24840200 0.75853000 0.00637900 1.0 Li Li32 1 0.24147000 0.00637900 0.75159800 1.0 Li Li33 1 0.50000000 0.75000000 0.00000000 1.0 Li Li34 1 0.74434900 0.25565100 0.25565100 1.0 Li Li35 1 0.50000000 0.25000000 0.00000000 1.0 Li Li36 1 0.25159800 0.49362100 0.25853000 1.0 Li Li37 1 0.24840200 0.24147000 0.99362100 1.0 Li Li38 1 0.49362100 0.25853000 0.25159800 1.0 Li Li39 1 0.75853000 0.99362100 0.75159800 1.0 Li Li40 1 0.99362100 0.75159800 0.75853000 1.0 Li Li41 1 0.75159800 0.75853000 0.99362100 1.0 Li Li42 1 0.74147000 0.25159800 0.50637900 1.0 Li Li43 1 0.00637900 0.75159800 0.24147000 1.0 Li Li44 1 0.50000000 0.50000000 0.75964600 1.0 Li Li45 1 0.00000000 0.00000000 0.50000000 1.0 Li Li46 1 0.50000000 0.00000000 0.00000000 1.0 Li Li47 1 0.49362100 0.74147000 0.74840200 1.0 Li Li48 1 0.75159800 0.24147000 0.00637900 1.0 Li Li49 1 0.24035400 0.50000000 0.50000000 1.0 Li Li50 1 0.75000000 0.00000000 0.50000000 1.0 Li Li51 1 0.25964600 0.00000000 0.00000000 1.0 Li Li52 1 0.00000000 0.50000000 0.25000000 1.0 Li Li53 1 0.99362100 0.24840200 0.24147000 1.0 Li Li54 1 0.50637900 0.25853000 0.74840200 1.0 Li Li55 1 0.74147000 0.74840200 0.49362100 1.0 Ni Ni56 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni57 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni58 1 0.50000000 0.00000000 0.75000000 1.0 Ni Ni59 1 0.25000000 0.50000000 0.00000000 1.0 Ni Ni60 1 0.50000000 0.00000000 0.25000000 1.0 Ni Ni61 1 0.00000000 0.75000000 0.50000000 1.0 Ni Ni62 1 0.00000000 0.25000000 0.50000000 1.0 Ni Ni63 1 0.75000000 0.50000000 0.00000000 1.0 N N64 1 0.85919900 0.38743300 0.11894000 1.0 N N65 1 0.14080100 0.38743300 0.88106000 1.0 N N66 1 0.11234900 0.11234900 0.11234900 1.0 N N67 1 0.61234900 0.38765100 0.38765100 1.0 N N68 1 0.61894000 0.11256700 0.64080100 1.0 N N69 1 0.11256700 0.64080100 0.61894000 1.0 N N70 1 0.88106000 0.14080100 0.38743300 1.0 N N71 1 0.88106000 0.85919900 0.61256700 1.0 N N72 1 0.38765100 0.61234900 0.38765100 1.0 N N73 1 0.88765100 0.88765100 0.11234900 1.0 N N74 1 0.38106000 0.88743300 0.64080100 1.0 N N75 1 0.61234900 0.61234900 0.61234900 1.0 N N76 1 0.85919900 0.61256700 0.88106000 1.0 N N77 1 0.38106000 0.11256700 0.35919900 1.0 N N78 1 0.88743300 0.35919900 0.61894000 1.0 N N79 1 0.11234900 0.88765100 0.88765100 1.0 N N80 1 0.38743300 0.11894000 0.85919900 1.0 N N81 1 0.64080100 0.61894000 0.11256700 1.0 N N82 1 0.64080100 0.38106000 0.88743300 1.0 N N83 1 0.11894000 0.85919900 0.38743300 1.0 N N84 1 0.88765100 0.11234900 0.88765100 1.0 N N85 1 0.61894000 0.88743300 0.35919900 1.0 N N86 1 0.11894000 0.14080100 0.61256700 1.0 N N87 1 0.88743300 0.64080100 0.38106000 1.0 N N88 1 0.35919900 0.61894000 0.88743300 1.0 N N89 1 0.61256700 0.11894000 0.14080100 1.0 N N90 1 0.14080100 0.61256700 0.11894000 1.0 N N91 1 0.38765100 0.38765100 0.61234900 1.0 N N92 1 0.61256700 0.88106000 0.85919900 1.0 N N93 1 0.35919900 0.38106000 0.11256700 1.0 N N94 1 0.38743300 0.88106000 0.14080100 1.0 N N95 1 0.11256700 0.35919900 0.38106000 1.0