# generated using pymatgen data_Li3CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.25505100 _cell_length_b 9.53211187 _cell_length_c 9.53211155 _cell_angle_alpha 89.99999877 _cell_angle_beta 125.26438842 _cell_angle_gamma 54.73561292 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3CrN2 _chemical_formula_sum 'Li24 Cr8 N16' _cell_volume 433.04937110 _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 0.21936600 0.04192700 0.98288100 1.0 Li Li1 1 0.78063400 0.76129300 0.51711900 1.0 Li Li2 1 0.78063400 0.45807300 0.76351500 1.0 Li Li3 1 0.21936600 0.73870700 0.73648500 1.0 Li Li4 1 0.25360400 0.76351500 0.27841200 1.0 Li Li5 1 0.74639600 0.73648500 0.02480800 1.0 Li Li6 1 0.25360400 0.98288100 0.47519200 1.0 Li Li7 1 0.74639600 0.51711900 0.22158800 1.0 Li Li8 1 0.69678000 0.02480800 0.73870700 1.0 Li Li9 1 0.69678000 0.27841200 0.45807300 1.0 Li Li10 1 0.30322000 0.22158800 0.76129300 1.0 Li Li11 1 0.30322000 0.47519200 0.04192700 1.0 Li Li12 1 0.78063400 0.95807300 0.01711900 1.0 Li Li13 1 0.21936600 0.23870700 0.48288100 1.0 Li Li14 1 0.21936600 0.54192700 0.23648500 1.0 Li Li15 1 0.78063400 0.26129300 0.26351500 1.0 Li Li16 1 0.74639600 0.23648500 0.72158800 1.0 Li Li17 1 0.25360400 0.26351500 0.97519200 1.0 Li Li18 1 0.74639600 0.01711900 0.52480800 1.0 Li Li19 1 0.25360400 0.48288100 0.77841200 1.0 Li Li20 1 0.30322000 0.97519200 0.26129300 1.0 Li Li21 1 0.30322000 0.72158800 0.54192700 1.0 Li Li22 1 0.69678000 0.77841200 0.23870700 1.0 Li Li23 1 0.69678000 0.52480800 0.95807300 1.0 Cr Cr24 1 0.22746400 0.00000000 0.72746400 1.0 Cr Cr25 1 0.77253600 0.72746400 0.77253600 1.0 Cr Cr26 1 0.77253600 0.50000000 0.50000000 1.0 Cr Cr27 1 0.22746400 0.77253600 0.00000000 1.0 Cr Cr28 1 0.77253600 0.00000000 0.27253600 1.0 Cr Cr29 1 0.22746400 0.27253600 0.22746400 1.0 Cr Cr30 1 0.22746400 0.50000000 0.50000000 1.0 Cr Cr31 1 0.77253600 0.22746400 0.00000000 1.0 N N32 1 0.00000000 0.00000000 0.50000000 1.0 N N33 1 0.00000000 0.50000000 0.00000000 1.0 N N34 1 0.00000000 0.50000000 0.50000000 1.0 N N35 1 0.00000000 0.00000000 0.00000000 1.0 N N36 1 0.50000000 0.96586100 0.75000000 1.0 N N37 1 0.50000000 0.53413900 0.25000000 1.0 N N38 1 0.00000000 0.25000000 0.71586100 1.0 N N39 1 0.00000000 0.75000000 0.78413900 1.0 N N40 1 0.56827900 0.71586100 0.53413900 1.0 N N41 1 0.43172100 0.78413900 0.96586100 1.0 N N42 1 0.50000000 0.03413900 0.25000000 1.0 N N43 1 0.50000000 0.46586100 0.75000000 1.0 N N44 1 0.00000000 0.75000000 0.28413900 1.0 N N45 1 0.00000000 0.25000000 0.21586100 1.0 N N46 1 0.43172100 0.28413900 0.46586100 1.0 N N47 1 0.56827900 0.21586100 0.03413900 1.0