# generated using pymatgen data_Ni11As8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81609807 _cell_length_b 6.81609807 _cell_length_c 21.81290928 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni11As8 _chemical_formula_sum 'Ni44 As32' _cell_volume 1013.41015995 _cell_formula_units_Z 4 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 0.12296037 0.37327140 0.26829335 1.0 Ni Ni1 1 0.12672860 0.62296037 0.51829335 1.0 Ni Ni2 1 0.87327140 0.37703963 0.01829335 1.0 Ni Ni3 1 0.62296037 0.12672860 0.48170665 1.0 Ni Ni4 1 0.37703963 0.87327140 0.98170665 1.0 Ni Ni5 1 0.87703963 0.62672860 0.76829335 1.0 Ni Ni6 1 0.37327140 0.12296037 0.73170665 1.0 Ni Ni7 1 0.62672860 0.87703963 0.23170665 1.0 Ni Ni8 1 0.37776233 0.37776233 0.00000000 1.0 Ni Ni9 1 0.12223767 0.87776233 0.25000000 1.0 Ni Ni10 1 0.87776233 0.12223767 0.75000000 1.0 Ni Ni11 1 0.62223767 0.62223767 0.50000000 1.0 Ni Ni12 1 0.12720404 0.57064376 0.17239661 1.0 Ni Ni13 1 0.92935624 0.62720404 0.42239661 1.0 Ni Ni14 1 0.07064376 0.37279596 0.92239661 1.0 Ni Ni15 1 0.62720404 0.92935624 0.57760339 1.0 Ni Ni16 1 0.37279596 0.07064376 0.07760339 1.0 Ni Ni17 1 0.87279596 0.42935624 0.67239661 1.0 Ni Ni18 1 0.57064376 0.12720404 0.82760339 1.0 Ni Ni19 1 0.42935624 0.87279596 0.32760339 1.0 Ni Ni20 1 0.62197980 0.56399063 0.17217041 1.0 Ni Ni21 1 0.93600937 0.12197980 0.42217041 1.0 Ni Ni22 1 0.06399063 0.87802020 0.92217041 1.0 Ni Ni23 1 0.12197980 0.93600937 0.57782959 1.0 Ni Ni24 1 0.87802020 0.06399063 0.07782959 1.0 Ni Ni25 1 0.37802020 0.43600937 0.67217041 1.0 Ni Ni26 1 0.56399063 0.62197980 0.82782959 1.0 Ni Ni27 1 0.43600937 0.37802020 0.32782959 1.0 Ni Ni28 1 0.37287820 0.68213696 0.07837767 1.0 Ni Ni29 1 0.81786304 0.87287820 0.32837767 1.0 Ni Ni30 1 0.18213696 0.12712180 0.82837767 1.0 Ni Ni31 1 0.87287820 0.81786304 0.67162233 1.0 Ni Ni32 1 0.12712180 0.18213696 0.17162233 1.0 Ni Ni33 1 0.62712180 0.31786304 0.57837767 1.0 Ni Ni34 1 0.68213696 0.37287820 0.92162233 1.0 Ni Ni35 1 0.31786304 0.62712180 0.42162233 1.0 Ni Ni36 1 0.87782361 0.69059786 0.07810409 1.0 Ni Ni37 1 0.80940214 0.37782361 0.32810409 1.0 Ni Ni38 1 0.19059786 0.62217639 0.82810409 1.0 Ni Ni39 1 0.37782361 0.80940214 0.67189591 1.0 Ni Ni40 1 0.62217639 0.19059786 0.17189591 1.0 Ni Ni41 1 0.12217639 0.30940214 0.57810409 1.0 Ni Ni42 1 0.69059786 0.87782361 0.92189591 1.0 Ni Ni43 1 0.30940214 0.12217639 0.42189591 1.0 As As44 1 0.12203949 0.12203949 0.00000000 1.0 As As45 1 0.37796051 0.62203949 0.25000000 1.0 As As46 1 0.62203949 0.37796051 0.75000000 1.0 As As47 1 0.87796051 0.87796051 0.50000000 1.0 As As48 1 0.63052029 0.63052029 0.00000000 1.0 As As49 1 0.86947971 0.13052029 0.25000000 1.0 As As50 1 0.13052029 0.86947971 0.75000000 1.0 As As51 1 0.36947971 0.36947971 0.50000000 1.0 As As52 1 0.63039661 0.12181391 0.00019623 1.0 As As53 1 0.37818609 0.13039661 0.25019623 1.0 As As54 1 0.62181391 0.86960339 0.75019623 1.0 As As55 1 0.13039661 0.37818609 0.74980377 1.0 As As56 1 0.86960339 0.62181391 0.24980377 1.0 As As57 1 0.36960339 0.87818609 0.50019623 1.0 As As58 1 0.12181391 0.63039661 0.99980377 1.0 As As59 1 0.87818609 0.36960339 0.49980377 1.0 As As60 1 0.87391990 0.37719534 0.12520913 1.0 As As61 1 0.12280466 0.37391990 0.37520913 1.0 As As62 1 0.87719534 0.62608010 0.87520913 1.0 As As63 1 0.37391990 0.12280466 0.62479087 1.0 As As64 1 0.62608010 0.87719534 0.12479087 1.0 As As65 1 0.12608010 0.62280466 0.62520913 1.0 As As66 1 0.37719534 0.87391990 0.87479087 1.0 As As67 1 0.62280466 0.12608010 0.37479087 1.0 As As68 1 0.12432528 0.87631984 0.12853394 1.0 As As69 1 0.62368016 0.62432528 0.37853394 1.0 As As70 1 0.37631984 0.37567472 0.87853394 1.0 As As71 1 0.62432528 0.62368016 0.62146606 1.0 As As72 1 0.37567472 0.37631984 0.12146606 1.0 As As73 1 0.87567472 0.12368016 0.62853394 1.0 As As74 1 0.87631984 0.12432528 0.87146606 1.0 As As75 1 0.12368016 0.87567472 0.37146606 1.0