# generated using pymatgen data_Li6Nd2PaN6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25745420 _cell_length_b 6.25745626 _cell_length_c 5.49818923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001007 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Nd2PaN6 _chemical_formula_sum 'Li6 Nd2 Pa1 N6' _cell_volume 186.44286703 _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 Li Li0 1 0.93872204 0.60438331 0.59385930 1.0 Li Li1 1 0.39561669 0.33433874 0.59385930 1.0 Li Li2 1 0.66566126 0.06127796 0.59385930 1.0 Li Li3 1 0.03492410 0.32954648 0.40237844 1.0 Li Li4 1 0.67045352 0.70537663 0.40237844 1.0 Li Li5 1 0.29462337 0.96507590 0.40237844 1.0 Nd Nd6 1 0.00000000 0.00000000 0.97611641 1.0 Nd Nd7 1 0.33333300 0.66666700 0.97899160 1.0 Pa Pa8 1 0.66666700 0.33333300 0.02937909 1.0 N N9 1 0.98086520 0.64880554 0.23651693 1.0 N N10 1 0.35119446 0.33206066 0.23651693 1.0 N N11 1 0.66793934 0.01913480 0.23651693 1.0 N N12 1 0.96606696 0.33337744 0.77241663 1.0 N N13 1 0.66662256 0.63268952 0.77241663 1.0 N N14 1 0.36731048 0.03393304 0.77241663 1.0