# generated using pymatgen data_Li2Ta3Ni9As7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51384226 _cell_length_b 9.51384284 _cell_length_c 3.71032383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000476 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ta3Ni9As7 _chemical_formula_sum 'Li2 Ta3 Ni9 As7' _cell_volume 290.84014067 _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 0.33333300 0.66666700 0.00000000 1.0 Li Li1 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta2 1 0.76553940 0.55922426 0.50000000 1.0 Ta Ta3 1 0.44077574 0.20631614 0.50000000 1.0 Ta Ta4 1 0.79368386 0.23446060 0.50000000 1.0 Ni Ni5 1 0.28423702 0.38543034 0.50000000 1.0 Ni Ni6 1 0.61456966 0.89880568 0.50000000 1.0 Ni Ni7 1 0.10119432 0.71576298 0.50000000 1.0 Ni Ni8 1 0.50438071 0.45609374 0.00000000 1.0 Ni Ni9 1 0.54390626 0.04828697 0.00000000 1.0 Ni Ni10 1 0.95171303 0.49561929 0.00000000 1.0 Ni Ni11 1 0.72668026 0.75919212 0.00000000 1.0 Ni Ni12 1 0.24080788 0.96748814 0.00000000 1.0 Ni Ni13 1 0.03251186 0.27331974 0.00000000 1.0 As As14 1 0.97240148 0.76038946 0.00000000 1.0 As As15 1 0.23961054 0.21201202 0.00000000 1.0 As As16 1 0.78798798 0.02759852 0.00000000 1.0 As As17 1 0.66666700 0.33333300 0.00000000 1.0 As As18 1 0.53443505 0.62787710 0.50000000 1.0 As As19 1 0.37212290 0.90655795 0.50000000 1.0 As As20 1 0.09344205 0.46556495 0.50000000 1.0