# generated using pymatgen data_Sm3Ni7P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88778400 _cell_length_b 16.44594100 _cell_length_c 16.44785515 _cell_angle_alpha 60.02020063 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ni7P5 _chemical_formula_sum 'Sm12 Ni28 P20' _cell_volume 910.93864594 _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 Sm Sm0 1 0.00000000 0.12048600 0.64574500 1.0 Sm Sm1 1 0.00000000 0.64539200 0.23378500 1.0 Sm Sm2 1 0.00000000 0.23602100 0.12130900 1.0 Sm Sm3 1 0.50000000 0.87807600 0.35692900 1.0 Sm Sm4 1 0.50000000 0.35556800 0.76524400 1.0 Sm Sm5 1 0.50000000 0.76582000 0.87946600 1.0 Sm Sm6 1 0.00000000 0.38350600 0.44032600 1.0 Sm Sm7 1 0.00000000 0.44052900 0.17610100 1.0 Sm Sm8 1 0.00000000 0.17561500 0.38373000 1.0 Sm Sm9 1 0.50000000 0.61688000 0.55883700 1.0 Sm Sm10 1 0.50000000 0.55898200 0.82431400 1.0 Sm Sm11 1 0.50000000 0.82433800 0.61663600 1.0 Ni Ni12 1 0.00000000 0.98631200 0.56636900 1.0 Ni Ni13 1 0.00000000 0.56664400 0.44697600 1.0 Ni Ni14 1 0.00000000 0.44678300 0.98605800 1.0 Ni Ni15 1 0.50000000 0.01437300 0.43241600 1.0 Ni Ni16 1 0.50000000 0.43222300 0.55354700 1.0 Ni Ni17 1 0.50000000 0.55353400 0.01468900 1.0 Ni Ni18 1 0.00000000 0.93261600 0.82372800 1.0 Ni Ni19 1 0.00000000 0.82289600 0.24373000 1.0 Ni Ni20 1 0.00000000 0.25053600 0.92652700 1.0 Ni Ni21 1 0.50000000 0.07376100 0.17709800 1.0 Ni Ni22 1 0.50000000 0.17737200 0.75011000 1.0 Ni Ni23 1 0.50000000 0.74973300 0.07321000 1.0 Ni Ni24 1 0.00000000 0.71591400 0.77356100 1.0 Ni Ni25 1 0.00000000 0.77354600 0.51030600 1.0 Ni Ni26 1 0.00000000 0.51074000 0.71567500 1.0 Ni Ni27 1 0.50000000 0.28448700 0.22618100 1.0 Ni Ni28 1 0.50000000 0.22622300 0.48990400 1.0 Ni Ni29 1 0.50000000 0.48976000 0.28395300 1.0 Ni Ni30 1 0.00000000 0.30177800 0.65541300 1.0 Ni Ni31 1 0.00000000 0.65654100 0.04264800 1.0 Ni Ni32 1 0.00000000 0.04178600 0.30242400 1.0 Ni Ni33 1 0.50000000 0.69718700 0.34598700 1.0 Ni Ni34 1 0.50000000 0.34437800 0.95783900 1.0 Ni Ni35 1 0.50000000 0.95693600 0.69713300 1.0 Ni Ni36 1 0.00000000 0.08733000 0.05894400 1.0 Ni Ni37 1 0.50000000 0.94087900 0.14839100 1.0 Ni Ni38 1 0.50000000 0.14831100 0.91162600 1.0 Ni Ni39 1 0.50000000 0.90779700 0.93856400 1.0 P P40 1 0.00000000 0.66679300 0.66654200 1.0 P P41 1 0.50000000 0.33325500 0.33333700 1.0 P P42 1 0.00000000 0.60876000 0.92786200 1.0 P P43 1 0.00000000 0.92768900 0.46351500 1.0 P P44 1 0.00000000 0.46370500 0.60871700 1.0 P P45 1 0.50000000 0.39196200 0.07181200 1.0 P P46 1 0.50000000 0.07179900 0.53718500 1.0 P P47 1 0.50000000 0.53709700 0.39094200 1.0 P P48 1 0.00000000 0.81893700 0.98175400 1.0 P P49 1 0.00000000 0.97678000 0.20483300 1.0 P P50 1 0.00000000 0.19968000 0.81727000 1.0 P P51 1 0.50000000 0.18326200 0.02187500 1.0 P P52 1 0.50000000 0.02111600 0.79409400 1.0 P P53 1 0.50000000 0.79388600 0.18507800 1.0 P P54 1 0.00000000 0.87111800 0.72249600 1.0 P P55 1 0.00000000 0.72247700 0.40658600 1.0 P P56 1 0.00000000 0.40761900 0.87044200 1.0 P P57 1 0.50000000 0.12989800 0.27776500 1.0 P P58 1 0.50000000 0.27759500 0.59308500 1.0 P P59 1 0.50000000 0.59298300 0.12938400 1.0