# generated using pymatgen data_Li7CrN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62702100 _cell_length_b 9.62702100 _cell_length_c 9.62702100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7CrN4 _chemical_formula_sum 'Li56 Cr8 N32' _cell_volume 892.22781368 _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 0.00000000 0.00000000 0.50000000 1.0 Li Li1 1 0.00000000 0.50000000 0.00000000 1.0 Li Li2 1 0.50000000 0.00000000 0.00000000 1.0 Li Li3 1 0.50000000 0.00000000 0.50000000 1.0 Li Li4 1 0.50000000 0.50000000 0.00000000 1.0 Li Li5 1 0.00000000 0.50000000 0.50000000 1.0 Li Li6 1 0.00000000 0.50000000 0.25000000 1.0 Li Li7 1 0.50000000 0.75000000 0.00000000 1.0 Li Li8 1 0.25000000 0.00000000 0.50000000 1.0 Li Li9 1 0.50000000 0.25000000 0.00000000 1.0 Li Li10 1 0.75000000 0.00000000 0.50000000 1.0 Li Li11 1 0.00000000 0.50000000 0.75000000 1.0 Li Li12 1 0.26811600 0.73188400 0.26811600 1.0 Li Li13 1 0.73188400 0.26811600 0.26811600 1.0 Li Li14 1 0.26811600 0.26811600 0.73188400 1.0 Li Li15 1 0.73188400 0.73188400 0.73188400 1.0 Li Li16 1 0.76811600 0.76811600 0.23188400 1.0 Li Li17 1 0.23188400 0.76811600 0.76811600 1.0 Li Li18 1 0.76811600 0.23188400 0.76811600 1.0 Li Li19 1 0.23188400 0.23188400 0.23188400 1.0 Li Li20 1 0.50000000 0.50000000 0.23647900 1.0 Li Li21 1 0.50000000 0.76352100 0.50000000 1.0 Li Li22 1 0.23647900 0.50000000 0.50000000 1.0 Li Li23 1 0.50000000 0.23647900 0.50000000 1.0 Li Li24 1 0.76352100 0.50000000 0.50000000 1.0 Li Li25 1 0.50000000 0.50000000 0.76352100 1.0 Li Li26 1 0.00000000 0.73647900 0.00000000 1.0 Li Li27 1 0.00000000 0.00000000 0.26352100 1.0 Li Li28 1 0.73647900 0.00000000 0.00000000 1.0 Li Li29 1 0.00000000 0.00000000 0.73647900 1.0 Li Li30 1 0.26352100 0.00000000 0.00000000 1.0 Li Li31 1 0.00000000 0.26352100 0.00000000 1.0 Li Li32 1 0.51935000 0.73951500 0.24763500 1.0 Li Li33 1 0.26048500 0.75236500 0.51935000 1.0 Li Li34 1 0.24763500 0.48065000 0.26048500 1.0 Li Li35 1 0.48065000 0.26048500 0.24763500 1.0 Li Li36 1 0.73951500 0.24763500 0.51935000 1.0 Li Li37 1 0.75236500 0.51935000 0.26048500 1.0 Li Li38 1 0.51935000 0.26048500 0.75236500 1.0 Li Li39 1 0.26048500 0.24763500 0.48065000 1.0 Li Li40 1 0.24763500 0.51935000 0.73951500 1.0 Li Li41 1 0.48065000 0.73951500 0.75236500 1.0 Li Li42 1 0.73951500 0.75236500 0.48065000 1.0 Li Li43 1 0.75236500 0.48065000 0.73951500 1.0 Li Li44 1 0.01935000 0.74763500 0.23951500 1.0 Li Li45 1 0.76048500 0.01935000 0.25236500 1.0 Li Li46 1 0.74763500 0.76048500 0.98065000 1.0 Li Li47 1 0.98065000 0.74763500 0.76048500 1.0 Li Li48 1 0.23951500 0.01935000 0.74763500 1.0 Li Li49 1 0.25236500 0.76048500 0.01935000 1.0 Li Li50 1 0.01935000 0.25236500 0.76048500 1.0 Li Li51 1 0.76048500 0.98065000 0.74763500 1.0 Li Li52 1 0.74763500 0.23951500 0.01935000 1.0 Li Li53 1 0.98065000 0.25236500 0.23951500 1.0 Li Li54 1 0.23951500 0.98065000 0.25236500 1.0 Li Li55 1 0.25236500 0.23951500 0.98065000 1.0 Cr Cr56 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr57 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr58 1 0.50000000 0.00000000 0.25000000 1.0 Cr Cr59 1 0.00000000 0.75000000 0.50000000 1.0 Cr Cr60 1 0.25000000 0.50000000 0.00000000 1.0 Cr Cr61 1 0.00000000 0.25000000 0.50000000 1.0 Cr Cr62 1 0.75000000 0.50000000 0.00000000 1.0 Cr Cr63 1 0.50000000 0.00000000 0.75000000 1.0 N N64 1 0.39141900 0.60858100 0.39141900 1.0 N N65 1 0.60858100 0.39141900 0.39141900 1.0 N N66 1 0.39141900 0.39141900 0.60858100 1.0 N N67 1 0.60858100 0.60858100 0.60858100 1.0 N N68 1 0.89141900 0.89141900 0.10858100 1.0 N N69 1 0.10858100 0.89141900 0.89141900 1.0 N N70 1 0.89141900 0.10858100 0.89141900 1.0 N N71 1 0.10858100 0.10858100 0.10858100 1.0 N N72 1 0.39302300 0.88350900 0.14303800 1.0 N N73 1 0.11649100 0.85696200 0.39302300 1.0 N N74 1 0.14303800 0.60697700 0.11649100 1.0 N N75 1 0.60697700 0.11649100 0.14303800 1.0 N N76 1 0.88350900 0.14303800 0.39302300 1.0 N N77 1 0.85696200 0.39302300 0.11649100 1.0 N N78 1 0.39302300 0.11649100 0.85696200 1.0 N N79 1 0.11649100 0.14303800 0.60697700 1.0 N N80 1 0.14303800 0.39302300 0.88350900 1.0 N N81 1 0.60697700 0.88350900 0.85696200 1.0 N N82 1 0.88350900 0.85696200 0.60697700 1.0 N N83 1 0.85696200 0.60697700 0.88350900 1.0 N N84 1 0.89302300 0.64303800 0.38350900 1.0 N N85 1 0.61649100 0.89302300 0.35696300 1.0 N N86 1 0.64303800 0.61649100 0.10697700 1.0 N N87 1 0.10697700 0.64303800 0.61649100 1.0 N N88 1 0.38350900 0.89302300 0.64303800 1.0 N N89 1 0.35696300 0.61649100 0.89302300 1.0 N N90 1 0.89302300 0.35696300 0.61649100 1.0 N N91 1 0.61649100 0.10697700 0.64303800 1.0 N N92 1 0.64303800 0.38350900 0.89302300 1.0 N N93 1 0.10697700 0.35696300 0.38350900 1.0 N N94 1 0.38350900 0.10697700 0.35696300 1.0 N N95 1 0.35696300 0.38350900 0.10697700 1.0