# generated using pymatgen data_Pr3Ni7P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94739500 _cell_length_b 16.58188300 _cell_length_c 16.62491897 _cell_angle_alpha 60.16391521 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Ni7P5 _chemical_formula_sum 'Pr12 Ni28 P20' _cell_volume 943.95125303 _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 Pr Pr0 1 0.00000000 0.11882900 0.64764700 1.0 Pr Pr1 1 0.00000000 0.64715800 0.23374700 1.0 Pr Pr2 1 0.00000000 0.23620900 0.11997300 1.0 Pr Pr3 1 0.50000000 0.87913100 0.35467500 1.0 Pr Pr4 1 0.50000000 0.35351300 0.76482700 1.0 Pr Pr5 1 0.50000000 0.76636300 0.88053600 1.0 Pr Pr6 1 0.00000000 0.38290000 0.44149900 1.0 Pr Pr7 1 0.00000000 0.44155900 0.17583000 1.0 Pr Pr8 1 0.00000000 0.17494000 0.38392700 1.0 Pr Pr9 1 0.50000000 0.61621100 0.55890100 1.0 Pr Pr10 1 0.50000000 0.55921600 0.82476300 1.0 Pr Pr11 1 0.50000000 0.82504100 0.61598900 1.0 Ni Ni12 1 0.00000000 0.93261200 0.82777800 1.0 Ni Ni13 1 0.00000000 0.82713100 0.24007700 1.0 Ni Ni14 1 0.00000000 0.24802300 0.92551400 1.0 Ni Ni15 1 0.50000000 0.07514300 0.17439000 1.0 Ni Ni16 1 0.50000000 0.17463200 0.75209700 1.0 Ni Ni17 1 0.50000000 0.75067300 0.07507300 1.0 Ni Ni18 1 0.00000000 0.29825500 0.65781600 1.0 Ni Ni19 1 0.00000000 0.65872200 0.04300500 1.0 Ni Ni20 1 0.00000000 0.04200100 0.30062000 1.0 Ni Ni21 1 0.50000000 0.69558500 0.34770500 1.0 Ni Ni22 1 0.50000000 0.34390800 0.95733300 1.0 Ni Ni23 1 0.50000000 0.95652500 0.69631800 1.0 Ni Ni24 1 0.00000000 0.71739600 0.77404100 1.0 Ni Ni25 1 0.00000000 0.77411400 0.50830300 1.0 Ni Ni26 1 0.00000000 0.50943600 0.71663000 1.0 Ni Ni27 1 0.50000000 0.28416500 0.22564600 1.0 Ni Ni28 1 0.50000000 0.22561100 0.49159700 1.0 Ni Ni29 1 0.50000000 0.49118400 0.28327300 1.0 Ni Ni30 1 0.00000000 0.98729500 0.56491800 1.0 Ni Ni31 1 0.00000000 0.56477400 0.44744600 1.0 Ni Ni32 1 0.00000000 0.44716800 0.98678000 1.0 Ni Ni33 1 0.50000000 0.01339400 0.43352000 1.0 Ni Ni34 1 0.50000000 0.43526500 0.55151600 1.0 Ni Ni35 1 0.50000000 0.55391400 0.01369600 1.0 Ni Ni36 1 0.00000000 0.08898300 0.05722600 1.0 Ni Ni37 1 0.50000000 0.94277500 0.14868200 1.0 Ni Ni38 1 0.50000000 0.14897500 0.91013400 1.0 Ni Ni39 1 0.50000000 0.90457000 0.93954300 1.0 P P40 1 0.00000000 0.66719800 0.66641200 1.0 P P41 1 0.50000000 0.33326700 0.33356900 1.0 P P42 1 0.00000000 0.81973400 0.98477100 1.0 P P43 1 0.00000000 0.97963400 0.20114700 1.0 P P44 1 0.00000000 0.19555300 0.81845300 1.0 P P45 1 0.50000000 0.18229500 0.02009300 1.0 P P46 1 0.50000000 0.01751100 0.79640800 1.0 P P47 1 0.50000000 0.79620700 0.18687500 1.0 P P48 1 0.00000000 0.60909300 0.92965100 1.0 P P49 1 0.00000000 0.92964800 0.46149500 1.0 P P50 1 0.00000000 0.46154200 0.60873800 1.0 P P51 1 0.50000000 0.39297400 0.07021200 1.0 P P52 1 0.50000000 0.07019500 0.53846200 1.0 P P53 1 0.50000000 0.53777500 0.39115500 1.0 P P54 1 0.00000000 0.87393700 0.72289500 1.0 P P55 1 0.00000000 0.72272500 0.40329400 1.0 P P56 1 0.00000000 0.40472500 0.87232300 1.0 P P57 1 0.50000000 0.12773200 0.27733700 1.0 P P58 1 0.50000000 0.27764200 0.59606000 1.0 P P59 1 0.50000000 0.59531500 0.12765500 1.0