# generated using pymatgen data_Li7TaN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74603171 _cell_length_b 9.74603171 _cell_length_c 9.74603171 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7TaN4 _chemical_formula_sum 'Li56 Ta8 N32' _cell_volume 925.72812884 _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 0.86816819 0.35996479 0.38394173 1.0 Li Li1 1 0.36816819 0.14003521 0.61605827 1.0 Li Li2 1 0.13183181 0.85996479 0.11605827 1.0 Li Li3 1 0.14003521 0.61605827 0.36816819 1.0 Li Li4 1 0.11605827 0.13183181 0.85996479 1.0 Li Li5 1 0.61605827 0.36816819 0.14003521 1.0 Li Li6 1 0.35996479 0.38394173 0.86816819 1.0 Li Li7 1 0.38394173 0.86816819 0.35996479 1.0 Li Li8 1 0.85996479 0.11605827 0.13183181 1.0 Li Li9 1 0.64003521 0.88394173 0.63183181 1.0 Li Li10 1 0.88394173 0.63183181 0.64003521 1.0 Li Li11 1 0.63183181 0.64003521 0.88394173 1.0 Li Li12 1 0.13183181 0.64003521 0.61605827 1.0 Li Li13 1 0.63183181 0.85996479 0.38394173 1.0 Li Li14 1 0.86816819 0.14003521 0.88394173 1.0 Li Li15 1 0.85996479 0.38394173 0.63183181 1.0 Li Li16 1 0.88394173 0.86816819 0.14003521 1.0 Li Li17 1 0.38394173 0.63183181 0.85996479 1.0 Li Li18 1 0.64003521 0.61605827 0.13183181 1.0 Li Li19 1 0.61605827 0.13183181 0.64003521 1.0 Li Li20 1 0.14003521 0.88394173 0.86816819 1.0 Li Li21 1 0.35996479 0.11605827 0.36816819 1.0 Li Li22 1 0.11605827 0.36816819 0.35996479 1.0 Li Li23 1 0.86728730 0.62029484 0.09896717 1.0 Li Li24 1 0.36816819 0.35996479 0.11605827 1.0 Li Li25 1 0.12029484 0.09896717 0.63271270 1.0 Li Li26 1 0.37970516 0.90103283 0.13271270 1.0 Li Li27 1 0.09896717 0.63271270 0.12029484 1.0 Li Li28 1 0.13271270 0.37970516 0.90103283 1.0 Li Li29 1 0.63271270 0.12029484 0.09896717 1.0 Li Li30 1 0.40103283 0.36728730 0.62029484 1.0 Li Li31 1 0.36728730 0.62029484 0.40103283 1.0 Li Li32 1 0.90103283 0.13271270 0.37970516 1.0 Li Li33 1 0.59896717 0.86728730 0.87970516 1.0 Li Li34 1 0.86728730 0.87970516 0.59896717 1.0 Li Li35 1 0.87970516 0.59896717 0.86728730 1.0 Li Li36 1 0.37970516 0.59896717 0.63271270 1.0 Li Li37 1 0.87970516 0.90103283 0.36728730 1.0 Li Li38 1 0.62029484 0.09896717 0.86728730 1.0 Li Li39 1 0.90103283 0.36728730 0.87970516 1.0 Li Li40 1 0.36815859 0.36815859 0.36815859 1.0 Li Li41 1 0.13184141 0.63184141 0.86815859 1.0 Li Li42 1 0.86815859 0.13184141 0.63184141 1.0 Li Li43 1 0.63184141 0.86815859 0.13184141 1.0 Li Li44 1 0.63184141 0.63184141 0.63184141 1.0 Li Li45 1 0.86815859 0.36815859 0.13184141 1.0 Li Li46 1 0.13184141 0.86815859 0.36815859 1.0 Li Li47 1 0.36815859 0.13184141 0.86815859 1.0 Li Li48 1 0.12029484 0.40103283 0.13271270 1.0 Li Li49 1 0.13271270 0.12029484 0.40103283 1.0 Li Li50 1 0.40103283 0.13271270 0.12029484 1.0 Li Li51 1 0.09896717 0.86728730 0.62029484 1.0 Li Li52 1 0.63271270 0.37970516 0.59896717 1.0 Li Li53 1 0.59896717 0.63271270 0.37970516 1.0 Li Li54 1 0.36728730 0.87970516 0.90103283 1.0 Li Li55 1 0.62029484 0.40103283 0.36728730 1.0 Ta Ta56 1 0.12755536 0.37244464 0.62755536 1.0 Ta Ta57 1 0.37244464 0.62755536 0.12755536 1.0 Ta Ta58 1 0.62755536 0.12755536 0.37244464 1.0 Ta Ta59 1 0.87244464 0.87244464 0.87244464 1.0 Ta Ta60 1 0.87244464 0.62755536 0.37244464 1.0 Ta Ta61 1 0.62755536 0.37244464 0.87244464 1.0 Ta Ta62 1 0.37244464 0.87244464 0.62755536 1.0 Ta Ta63 1 0.12755536 0.12755536 0.12755536 1.0 N N64 1 0.00979331 0.24471602 0.01373053 1.0 N N65 1 0.50979331 0.25528398 0.98626947 1.0 N N66 1 0.99020669 0.74471602 0.48626947 1.0 N N67 1 0.25528398 0.98626947 0.50979331 1.0 N N68 1 0.48626947 0.99020669 0.74471602 1.0 N N69 1 0.98626947 0.50979331 0.25528398 1.0 N N70 1 0.24471602 0.01373053 0.00979331 1.0 N N71 1 0.01373053 0.00979331 0.24471602 1.0 N N72 1 0.74471602 0.48626947 0.99020669 1.0 N N73 1 0.75528398 0.51373053 0.49020669 1.0 N N74 1 0.51373053 0.49020669 0.75528398 1.0 N N75 1 0.49020669 0.75528398 0.51373053 1.0 N N76 1 0.99020669 0.75528398 0.98626947 1.0 N N77 1 0.49020669 0.74471602 0.01373053 1.0 N N78 1 0.00979331 0.25528398 0.51373053 1.0 N N79 1 0.74471602 0.01373053 0.49020669 1.0 N N80 1 0.51373053 0.00979331 0.25528398 1.0 N N81 1 0.01373053 0.49020669 0.74471602 1.0 N N82 1 0.75528398 0.98626947 0.99020669 1.0 N N83 1 0.98626947 0.99020669 0.75528398 1.0 N N84 1 0.25528398 0.51373053 0.00979331 1.0 N N85 1 0.24471602 0.48626947 0.50979331 1.0 N N86 1 0.48626947 0.50979331 0.24471602 1.0 N N87 1 0.50979331 0.24471602 0.48626947 1.0 N N88 1 0.24276584 0.25723416 0.74276584 1.0 N N89 1 0.25723416 0.74276584 0.24276584 1.0 N N90 1 0.74276584 0.24276584 0.25723416 1.0 N N91 1 0.75723416 0.75723416 0.75723416 1.0 N N92 1 0.75723416 0.74276584 0.25723416 1.0 N N93 1 0.74276584 0.25723416 0.75723416 1.0 N N94 1 0.25723416 0.75723416 0.74276584 1.0 N N95 1 0.24276584 0.24276584 0.24276584 1.0