# generated using pymatgen data_Ta6V5AsN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20411041 _cell_length_b 8.18894755 _cell_length_c 8.23490714 _cell_angle_alpha 90.00000000 _cell_angle_beta 59.87574686 _cell_angle_gamma 119.93887198 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6V5AsN2 _chemical_formula_sum 'Ta12 V10 As2 N4' _cell_volume 390.82942499 _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 Ta Ta0 1 0.62774440 0.81387320 0.43612680 1.0 Ta Ta1 1 0.87173492 0.43586696 0.81413304 1.0 Ta Ta2 1 0.25071446 0.81267331 0.81496829 1.0 Ta Ta3 1 0.25071446 0.43804214 0.43431825 1.0 Ta Ta4 1 0.25071446 0.43804214 0.81496829 1.0 Ta Ta5 1 0.25071446 0.81267331 0.43431825 1.0 Ta Ta6 1 0.37225560 0.18612680 0.56387320 1.0 Ta Ta7 1 0.12826508 0.56413304 0.18586696 1.0 Ta Ta8 1 0.74928554 0.18732669 0.18503171 1.0 Ta Ta9 1 0.74928554 0.56195786 0.56568175 1.0 Ta Ta10 1 0.74928554 0.56195786 0.18503171 1.0 Ta Ta11 1 0.74928554 0.18732669 0.56568175 1.0 V V12 1 0.09628049 0.88286349 0.20185975 1.0 V V13 1 0.09628049 0.21341701 0.20185975 1.0 V V14 1 0.41721840 0.20860920 0.87695847 1.0 V V15 1 0.41721840 0.20860920 0.20582313 1.0 V V16 1 0.90371951 0.11713651 0.79814025 1.0 V V17 1 0.90371951 0.78658299 0.79814025 1.0 V V18 1 0.58278160 0.79139080 0.12304153 1.0 V V19 1 0.58278160 0.79139080 0.79417687 1.0 V V20 1 0.50000000 0.50000000 0.00000000 1.0 V V21 1 0.50000000 0.00000000 0.00000000 1.0 As As22 1 0.00000000 0.00000000 0.50000000 1.0 As As23 1 0.00000000 0.00000000 0.00000000 1.0 N N24 1 0.50000000 0.00000000 0.50000000 1.0 N N25 1 0.50000000 0.50000000 0.50000000 1.0 N N26 1 0.00000000 0.50000000 0.00000000 1.0 N N27 1 0.00000000 0.50000000 0.50000000 1.0