# generated using pymatgen data_Li2Np(TaN2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25663607 _cell_length_b 5.25663668 _cell_length_c 10.71704305 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99953526 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Np(TaN2)3 _chemical_formula_sum 'Li4 Np2 Ta6 N12' _cell_volume 256.46228855 _cell_formula_units_Z 2 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 0.33333231 0.66666739 0.99999999 1.0 Li Li1 1 0.33333231 0.66666739 0.50000001 1.0 Li Li2 1 0.66666769 0.33333261 0.49999999 1.0 Li Li3 1 0.66666769 0.33333261 0.00000001 1.0 Np Np4 1 0.00000000 0.00000000 0.50000000 1.0 Np Np5 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta6 1 0.00000004 0.34888901 0.25000000 1.0 Ta Ta7 1 0.65111162 0.99999983 0.75000000 1.0 Ta Ta8 1 0.34889000 0.34889020 0.75000000 1.0 Ta Ta9 1 0.65111000 0.65110980 0.25000000 1.0 Ta Ta10 1 0.34888838 0.00000017 0.25000000 1.0 Ta Ta11 1 0.99999996 0.65111099 0.75000000 1.0 N N12 1 0.67685745 0.67685728 0.62868233 1.0 N N13 1 0.67685745 0.67685728 0.87131767 1.0 N N14 1 0.32314255 0.32314272 0.12868233 1.0 N N15 1 0.32314255 0.32314272 0.37131767 1.0 N N16 1 0.32314468 0.00000040 0.87131821 1.0 N N17 1 0.32314468 0.00000040 0.62868179 1.0 N N18 1 0.99999914 0.67685543 0.37131799 1.0 N N19 1 0.99999914 0.67685543 0.12868201 1.0 N N20 1 0.67685532 0.99999960 0.12868179 1.0 N N21 1 0.67685532 0.99999960 0.37131821 1.0 N N22 1 0.00000086 0.32314457 0.87131799 1.0 N N23 1 0.00000086 0.32314457 0.62868201 1.0