# generated using pymatgen data_LiReN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77213400 _cell_length_b 10.51074100 _cell_length_c 13.41244800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiReN2 _chemical_formula_sum 'Li16 Re16 N32' _cell_volume 813.72524634 _cell_formula_units_Z 16 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 0.10417700 0.02830100 0.42429800 1.0 Li Li1 1 0.60417700 0.47169900 0.57570200 1.0 Li Li2 1 0.89582300 0.52830100 0.07570200 1.0 Li Li3 1 0.39582300 0.97169900 0.92429800 1.0 Li Li4 1 0.89582300 0.97169900 0.57570200 1.0 Li Li5 1 0.39582300 0.52830100 0.42429800 1.0 Li Li6 1 0.10417700 0.47169900 0.92429800 1.0 Li Li7 1 0.60417700 0.02830100 0.07570200 1.0 Li Li8 1 0.28205600 0.25690700 0.30969300 1.0 Li Li9 1 0.78205600 0.24309300 0.69030700 1.0 Li Li10 1 0.71794400 0.75690700 0.19030700 1.0 Li Li11 1 0.21794400 0.74309300 0.80969300 1.0 Li Li12 1 0.71794400 0.74309300 0.69030700 1.0 Li Li13 1 0.21794400 0.75690700 0.30969300 1.0 Li Li14 1 0.28205600 0.24309300 0.80969300 1.0 Li Li15 1 0.78205600 0.25690700 0.19030700 1.0 Re Re16 1 0.60636700 0.99398900 0.31776000 1.0 Re Re17 1 0.10636700 0.50601100 0.68224000 1.0 Re Re18 1 0.39363300 0.49398900 0.18224000 1.0 Re Re19 1 0.89363300 0.00601100 0.81776000 1.0 Re Re20 1 0.39363300 0.00601100 0.68224000 1.0 Re Re21 1 0.89363300 0.49398900 0.31776000 1.0 Re Re22 1 0.60636700 0.50601100 0.81776000 1.0 Re Re23 1 0.10636700 0.99398900 0.18224000 1.0 Re Re24 1 0.80460200 0.28516800 0.42217500 1.0 Re Re25 1 0.30460200 0.21483200 0.57782500 1.0 Re Re26 1 0.19539800 0.78516800 0.07782500 1.0 Re Re27 1 0.69539800 0.71483200 0.92217500 1.0 Re Re28 1 0.19539800 0.71483200 0.57782500 1.0 Re Re29 1 0.69539800 0.78516800 0.42217500 1.0 Re Re30 1 0.80460200 0.21483200 0.92217500 1.0 Re Re31 1 0.30460200 0.28516800 0.07782500 1.0 N N32 1 0.08446800 0.22096800 0.45764100 1.0 N N33 1 0.58446800 0.27903200 0.54235900 1.0 N N34 1 0.91553200 0.72096800 0.04235900 1.0 N N35 1 0.41553200 0.77903200 0.95764100 1.0 N N36 1 0.91553200 0.77903200 0.54235900 1.0 N N37 1 0.41553200 0.72096800 0.45764100 1.0 N N38 1 0.08446800 0.27903200 0.95764100 1.0 N N39 1 0.58446800 0.22096800 0.04235900 1.0 N N40 1 0.73638400 0.47043400 0.43969700 1.0 N N41 1 0.23638400 0.02956600 0.56030300 1.0 N N42 1 0.26361600 0.97043400 0.06030300 1.0 N N43 1 0.76361600 0.52956600 0.93969700 1.0 N N44 1 0.26361600 0.52956600 0.56030300 1.0 N N45 1 0.76361600 0.97043400 0.43969700 1.0 N N46 1 0.73638400 0.02956600 0.93969700 1.0 N N47 1 0.23638400 0.47043400 0.06030300 1.0 N N48 1 0.63841700 0.18518300 0.33530800 1.0 N N49 1 0.13841700 0.31481700 0.66469200 1.0 N N50 1 0.36158300 0.68518300 0.16469200 1.0 N N51 1 0.86158300 0.81481700 0.83530800 1.0 N N52 1 0.36158300 0.81481700 0.66469200 1.0 N N53 1 0.86158300 0.68518300 0.33530800 1.0 N N54 1 0.63841700 0.31481700 0.83530800 1.0 N N55 1 0.13841700 0.18518300 0.16469200 1.0 N N56 1 0.71224900 0.47583400 0.20042800 1.0 N N57 1 0.21224900 0.02416600 0.79957200 1.0 N N58 1 0.28775100 0.97583400 0.29957200 1.0 N N59 1 0.78775100 0.52416600 0.70042800 1.0 N N60 1 0.28775100 0.52416600 0.79957200 1.0 N N61 1 0.78775100 0.97583400 0.20042800 1.0 N N62 1 0.71224900 0.02416600 0.70042800 1.0 N N63 1 0.21224900 0.47583400 0.29957200 1.0