# generated using pymatgen data_La3Ni7P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96222000 _cell_length_b 16.63258200 _cell_length_c 16.63326570 _cell_angle_alpha 60.11795094 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La3Ni7P5 _chemical_formula_sum 'La12 Ni28 P20' _cell_volume 950.43270297 _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 La La0 1 0.50000000 0.64737100 0.11966300 1.0 La La1 1 0.50000000 0.23284100 0.64707900 1.0 La La2 1 0.50000000 0.12080800 0.23596200 1.0 La La3 1 0.00000000 0.35551500 0.87878700 1.0 La La4 1 0.00000000 0.76489300 0.35438900 1.0 La La5 1 0.00000000 0.87970100 0.76634100 1.0 La La6 1 0.50000000 0.44197100 0.38271700 1.0 La La7 1 0.50000000 0.17546500 0.44220400 1.0 La La8 1 0.50000000 0.38364200 0.17465700 1.0 La La9 1 0.00000000 0.55822200 0.61690700 1.0 La La10 1 0.00000000 0.82514700 0.55797800 1.0 La La11 1 0.00000000 0.61673600 0.82525000 1.0 Ni Ni12 1 0.50000000 0.56504100 0.98733200 1.0 Ni Ni13 1 0.50000000 0.44692500 0.56561300 1.0 Ni Ni14 1 0.50000000 0.98694000 0.44712000 1.0 Ni Ni15 1 0.00000000 0.43475700 0.01295100 1.0 Ni Ni16 1 0.00000000 0.55115800 0.43566300 1.0 Ni Ni17 1 0.00000000 0.01358900 0.55284200 1.0 Ni Ni18 1 0.50000000 0.82861100 0.93321100 1.0 Ni Ni19 1 0.50000000 0.23878200 0.82756900 1.0 Ni Ni20 1 0.50000000 0.92615600 0.24637700 1.0 Ni Ni21 1 0.00000000 0.17389200 0.07449800 1.0 Ni Ni22 1 0.00000000 0.75256600 0.17524100 1.0 Ni Ni23 1 0.00000000 0.07396600 0.75098200 1.0 Ni Ni24 1 0.50000000 0.77516200 0.71767100 1.0 Ni Ni25 1 0.50000000 0.50665600 0.77542600 1.0 Ni Ni26 1 0.50000000 0.71703200 0.50780600 1.0 Ni Ni27 1 0.00000000 0.22497400 0.28292300 1.0 Ni Ni28 1 0.00000000 0.49329300 0.22471000 1.0 Ni Ni29 1 0.00000000 0.28244000 0.49289800 1.0 Ni Ni30 1 0.50000000 0.65905000 0.29727700 1.0 Ni Ni31 1 0.50000000 0.04293200 0.66012900 1.0 Ni Ni32 1 0.50000000 0.29944700 0.04199800 1.0 Ni Ni33 1 0.00000000 0.34679300 0.69686000 1.0 Ni Ni34 1 0.00000000 0.95789100 0.34279400 1.0 Ni Ni35 1 0.00000000 0.69763900 0.95619800 1.0 Ni Ni36 1 0.50000000 0.05760100 0.08886600 1.0 Ni Ni37 1 0.00000000 0.14989200 0.94224900 1.0 Ni Ni38 1 0.00000000 0.90920200 0.15067600 1.0 Ni Ni39 1 0.00000000 0.93894800 0.90400900 1.0 P P40 1 0.50000000 0.66636800 0.66709600 1.0 P P41 1 0.00000000 0.33347000 0.33327400 1.0 P P42 1 0.50000000 0.93113000 0.60786600 1.0 P P43 1 0.50000000 0.46127800 0.93116200 1.0 P P44 1 0.50000000 0.60737300 0.46137900 1.0 P P45 1 0.00000000 0.06921100 0.39327500 1.0 P P46 1 0.00000000 0.53931800 0.06908900 1.0 P P47 1 0.00000000 0.39150600 0.53863800 1.0 P P48 1 0.50000000 0.98448200 0.82003900 1.0 P P49 1 0.50000000 0.20088400 0.97953600 1.0 P P50 1 0.50000000 0.81848700 0.19574400 1.0 P P51 1 0.00000000 0.02010400 0.18180700 1.0 P P52 1 0.00000000 0.79663100 0.01704100 1.0 P P53 1 0.00000000 0.18653900 0.79677700 1.0 P P54 1 0.50000000 0.72268900 0.87578400 1.0 P P55 1 0.50000000 0.40179900 0.72289000 1.0 P P56 1 0.50000000 0.87420700 0.40285000 1.0 P P57 1 0.00000000 0.27788600 0.12534800 1.0 P P58 1 0.00000000 0.59707600 0.27830900 1.0 P P59 1 0.00000000 0.12591800 0.59627100 1.0