# generated using pymatgen data_Ni11As8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81492585 _cell_length_b 6.81492585 _cell_length_c 11.16847178 _cell_angle_alpha 81.27990704 _cell_angle_beta 81.27990704 _cell_angle_gamma 90.02371370 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni11As8 _chemical_formula_sum 'Ni22 As16' _cell_volume 506.63215146 _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 Ni Ni0 1 0.46764341 0.14614100 0.90632239 1.0 Ni Ni1 1 0.85385900 0.53235659 0.59367761 1.0 Ni Ni2 1 0.53235659 0.85385900 0.09367761 1.0 Ni Ni3 1 0.14614100 0.46764341 0.40632239 1.0 Ni Ni4 1 0.08628174 0.65124854 0.90600929 1.0 Ni Ni5 1 0.34875146 0.91371826 0.59399071 1.0 Ni Ni6 1 0.91371826 0.34875146 0.09399071 1.0 Ni Ni7 1 0.65124854 0.08628174 0.40600929 1.0 Ni Ni8 1 0.45990470 0.65210127 0.90594262 1.0 Ni Ni9 1 0.34789873 0.54009530 0.59405738 1.0 Ni Ni10 1 0.54009530 0.34789873 0.09405738 1.0 Ni Ni11 1 0.65210127 0.45990470 0.40594262 1.0 Ni Ni12 1 0.80305947 0.67705508 0.78658072 1.0 Ni Ni13 1 0.32294492 0.19694053 0.71341928 1.0 Ni Ni14 1 0.19694053 0.32294492 0.21341928 1.0 Ni Ni15 1 0.67705508 0.80305947 0.28658072 1.0 Ni Ni16 1 0.07919292 0.14663179 0.90560516 1.0 Ni Ni17 1 0.85336821 0.92080708 0.59439484 1.0 Ni Ni18 1 0.14663179 0.07919292 0.40560516 1.0 Ni Ni19 1 0.92080708 0.85336821 0.09439484 1.0 Ni Ni20 1 0.81143076 0.18856924 0.75000000 1.0 Ni Ni21 1 0.18856924 0.81143076 0.25000000 1.0 As As22 1 0.74952254 0.62375384 0.00030235 1.0 As As23 1 0.37624616 0.25047746 0.49969765 1.0 As As24 1 0.25047746 0.37624616 0.99969765 1.0 As As25 1 0.62375384 0.74952254 0.50030235 1.0 As As26 1 0.87281345 0.24798148 0.50710625 1.0 As As27 1 0.75201852 0.12718655 0.99289375 1.0 As As28 1 0.12718655 0.75201852 0.49289375 1.0 As As29 1 0.24798248 0.87281345 0.00710625 1.0 As As30 1 0.06651062 0.93348938 0.75000000 1.0 As As31 1 0.93348938 0.06651062 0.25000000 1.0 As As32 1 0.55778186 0.44221814 0.75000000 1.0 As As33 1 0.44221814 0.55778186 0.25000000 1.0 As As34 1 0.55791750 0.93401901 0.74970159 1.0 As As35 1 0.06598099 0.44208250 0.75029841 1.0 As As36 1 0.44208250 0.06598099 0.25029841 1.0 As As37 1 0.93401901 0.55791750 0.24970159 1.0