# generated using pymatgen data_Ni13Sn8P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46390700 _cell_length_b 11.42586050 _cell_length_c 20.24160828 _cell_angle_alpha 94.65811348 _cell_angle_beta 93.67947895 _cell_angle_gamma 91.02112084 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni13Sn8P3 _chemical_formula_sum 'Ni52 Sn32 P12' _cell_volume 1486.55017227 _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 0.95247500 0.96531900 0.09230600 1.0 Ni Ni1 1 0.83054600 0.89526800 0.28441100 1.0 Ni Ni2 1 0.88516100 0.32355500 0.79143200 1.0 Ni Ni3 1 0.16945400 0.10473200 0.71558900 1.0 Ni Ni4 1 0.57093200 0.86567700 0.05247200 1.0 Ni Ni5 1 0.65479100 0.22103800 0.61232700 1.0 Ni Ni6 1 0.46315700 0.78487200 0.25261900 1.0 Ni Ni7 1 0.40448200 0.71500900 0.12614300 1.0 Ni Ni8 1 0.47883800 0.15949400 0.36005800 1.0 Ni Ni9 1 0.29177400 0.07290300 0.13658700 1.0 Ni Ni10 1 0.97676300 0.68519700 0.33853500 1.0 Ni Ni11 1 0.93725600 0.33673000 0.22924700 1.0 Ni Ni12 1 0.58410000 0.51374400 0.89901900 1.0 Ni Ni13 1 0.41590000 0.48625600 0.10098100 1.0 Ni Ni14 1 0.34520900 0.77896200 0.38767300 1.0 Ni Ni15 1 0.84924100 0.09879300 0.79921100 1.0 Ni Ni16 1 0.53684300 0.21512800 0.74738100 1.0 Ni Ni17 1 0.32412400 0.12206700 0.55480700 1.0 Ni Ni18 1 0.61167500 0.20212100 0.18342500 1.0 Ni Ni19 1 0.70822600 0.92709700 0.86341300 1.0 Ni Ni20 1 0.73804500 0.53432200 0.73805900 1.0 Ni Ni21 1 0.84539100 0.97487600 0.68351400 1.0 Ni Ni22 1 0.25440000 0.41638900 0.83970400 1.0 Ni Ni23 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni24 1 0.04752500 0.03468100 0.90769400 1.0 Ni Ni25 1 0.59551800 0.28499100 0.87385700 1.0 Ni Ni26 1 0.05902200 0.54157300 0.65341800 1.0 Ni Ni27 1 0.19461500 0.71510400 0.58973900 1.0 Ni Ni28 1 0.38832500 0.79787900 0.81657500 1.0 Ni Ni29 1 0.42906800 0.13432300 0.94752800 1.0 Ni Ni30 1 0.74560000 0.58361100 0.16029600 1.0 Ni Ni31 1 0.06274400 0.66327000 0.77075300 1.0 Ni Ni32 1 0.88068600 0.58762800 0.53467200 1.0 Ni Ni33 1 0.31412900 0.35420000 0.57858200 1.0 Ni Ni34 1 0.76939100 0.24303900 0.99051900 1.0 Ni Ni35 1 0.23060900 0.75696100 0.00948100 1.0 Ni Ni36 1 0.62844600 0.57752600 0.29495200 1.0 Ni Ni37 1 0.80538500 0.28489600 0.41026100 1.0 Ni Ni38 1 0.37155400 0.42247400 0.70504800 1.0 Ni Ni39 1 0.26195500 0.46567800 0.26194100 1.0 Ni Ni40 1 0.11483900 0.67644500 0.20856800 1.0 Ni Ni41 1 0.68587100 0.64580000 0.42141800 1.0 Ni Ni42 1 0.11931400 0.41237200 0.46532800 1.0 Ni Ni43 1 0.15460900 0.02512400 0.31648600 1.0 Ni Ni44 1 0.52116200 0.84050600 0.63994200 1.0 Ni Ni45 1 0.08853300 0.36624500 0.04326500 1.0 Ni Ni46 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni47 1 0.94097800 0.45842700 0.34658200 1.0 Ni Ni48 1 0.67587600 0.87793300 0.44519300 1.0 Ni Ni49 1 0.15075900 0.90120700 0.20078900 1.0 Ni Ni50 1 0.02323700 0.31480300 0.66146500 1.0 Ni Ni51 1 0.91146700 0.63375500 0.95673500 1.0 Sn Sn52 1 0.77638500 0.81118000 0.16144300 1.0 Sn Sn53 1 0.04402300 0.89745700 0.79214000 1.0 Sn Sn54 1 0.61516500 0.09063300 0.06596300 1.0 Sn Sn55 1 0.31142600 0.55115900 0.38494800 1.0 Sn Sn56 1 0.89016500 0.86227700 0.97451800 1.0 Sn Sn57 1 0.26357100 0.30726800 0.15758500 1.0 Sn Sn58 1 0.52237200 0.73132000 0.52572000 1.0 Sn Sn59 1 0.75706800 0.36198500 0.11031200 1.0 Sn Sn60 1 0.73642900 0.69273200 0.84241500 1.0 Sn Sn61 1 0.10983500 0.13772300 0.02548200 1.0 Sn Sn62 1 0.66716000 0.99863300 0.56492000 1.0 Sn Sn63 1 0.41858700 0.36792200 0.98103300 1.0 Sn Sn64 1 0.22361500 0.18882000 0.83855700 1.0 Sn Sn65 1 0.58141300 0.63207800 0.01896700 1.0 Sn Sn66 1 0.40337300 0.66622600 0.70563700 1.0 Sn Sn67 1 0.47762800 0.26868000 0.47428000 1.0 Sn Sn68 1 0.86411000 0.73936100 0.66006100 1.0 Sn Sn69 1 0.13589000 0.26063900 0.33993900 1.0 Sn Sn70 1 0.96948700 0.22747900 0.52824400 1.0 Sn Sn71 1 0.50429900 0.97295100 0.74984100 1.0 Sn Sn72 1 0.95597700 0.10254300 0.20786000 1.0 Sn Sn73 1 0.05890900 0.59099900 0.07628800 1.0 Sn Sn74 1 0.17338400 0.94560900 0.61344400 1.0 Sn Sn75 1 0.03051300 0.77252100 0.47175600 1.0 Sn Sn76 1 0.38483500 0.90936700 0.93403700 1.0 Sn Sn77 1 0.82661600 0.05439100 0.38655600 1.0 Sn Sn78 1 0.33284000 0.00136700 0.43508000 1.0 Sn Sn79 1 0.94109100 0.40900100 0.92371200 1.0 Sn Sn80 1 0.24293200 0.63801500 0.88968800 1.0 Sn Sn81 1 0.59662700 0.33377400 0.29436300 1.0 Sn Sn82 1 0.49570100 0.02704900 0.25015900 1.0 Sn Sn83 1 0.68857400 0.44884100 0.61505200 1.0 P P84 1 0.73418300 0.11586300 0.90082500 1.0 P P85 1 0.57137700 0.41144600 0.79711100 1.0 P P86 1 0.20451700 0.52873800 0.55582000 1.0 P P87 1 0.66305600 0.77471100 0.34441300 1.0 P P88 1 0.26581700 0.88413700 0.09917500 1.0 P P89 1 0.33694400 0.22528900 0.65558700 1.0 P P90 1 0.93652700 0.53641500 0.24904000 1.0 P P91 1 0.79548300 0.47126200 0.44418000 1.0 P P92 1 0.06347300 0.46358500 0.75096000 1.0 P P93 1 0.15537100 0.82567900 0.29817100 1.0 P P94 1 0.84462900 0.17432100 0.70182900 1.0 P P95 1 0.42862300 0.58855400 0.20288900 1.0