# generated using pymatgen data_Pr8Ni18P11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 18.29738008 _cell_length_b 18.29738008 _cell_length_c 3.95137700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000030 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr8Ni18P11 _chemical_formula_sum 'Pr16 Ni36 P22' _cell_volume 1145.66307832 _cell_formula_units_Z 2 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 0.47705600 0.52294400 0.50000000 1.0 Pr Pr1 1 0.47705600 0.95411100 0.50000000 1.0 Pr Pr2 1 0.04588900 0.52294400 0.50000000 1.0 Pr Pr3 1 0.26035800 0.73964200 0.50000000 1.0 Pr Pr4 1 0.26035800 0.52071600 0.50000000 1.0 Pr Pr5 1 0.47928400 0.73964200 0.50000000 1.0 Pr Pr6 1 0.77902100 0.22097900 0.00000000 1.0 Pr Pr7 1 0.77902100 0.55804300 0.00000000 1.0 Pr Pr8 1 0.44195700 0.22097900 0.00000000 1.0 Pr Pr9 1 0.00129600 0.21898100 0.00000000 1.0 Pr Pr10 1 0.78101900 0.78231400 0.00000000 1.0 Pr Pr11 1 0.78101900 0.99870400 0.00000000 1.0 Pr Pr12 1 0.21768600 0.99870400 0.00000000 1.0 Pr Pr13 1 0.21768600 0.21898100 0.00000000 1.0 Pr Pr14 1 0.00129600 0.78231400 0.00000000 1.0 Pr Pr15 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni16 1 0.70994100 0.29005900 0.50000000 1.0 Ni Ni17 1 0.70994100 0.41988200 0.50000000 1.0 Ni Ni18 1 0.58011800 0.29005900 0.50000000 1.0 Ni Ni19 1 0.07603000 0.37053100 0.50000000 1.0 Ni Ni20 1 0.62946900 0.70549900 0.50000000 1.0 Ni Ni21 1 0.62946900 0.92397000 0.50000000 1.0 Ni Ni22 1 0.29450100 0.92397000 0.50000000 1.0 Ni Ni23 1 0.29450100 0.37053100 0.50000000 1.0 Ni Ni24 1 0.07603000 0.70549900 0.50000000 1.0 Ni Ni25 1 0.40119000 0.03146700 0.00000000 1.0 Ni Ni26 1 0.96853300 0.36972300 0.00000000 1.0 Ni Ni27 1 0.96853300 0.59881000 0.00000000 1.0 Ni Ni28 1 0.63027700 0.59881000 0.00000000 1.0 Ni Ni29 1 0.63027700 0.03146700 0.00000000 1.0 Ni Ni30 1 0.40119000 0.36972300 0.00000000 1.0 Ni Ni31 1 0.18404500 0.81595500 0.00000000 1.0 Ni Ni32 1 0.18404500 0.36809000 0.00000000 1.0 Ni Ni33 1 0.63191000 0.81595500 0.00000000 1.0 Ni Ni34 1 0.40597400 0.59402600 0.00000000 1.0 Ni Ni35 1 0.40597400 0.81194700 0.00000000 1.0 Ni Ni36 1 0.18805300 0.59402600 0.00000000 1.0 Ni Ni37 1 0.07328700 0.92671300 0.50000000 1.0 Ni Ni38 1 0.07328700 0.14657400 0.50000000 1.0 Ni Ni39 1 0.85342600 0.92671300 0.50000000 1.0 Ni Ni40 1 0.49839200 0.12955300 0.50000000 1.0 Ni Ni41 1 0.87044700 0.36883900 0.50000000 1.0 Ni Ni42 1 0.87044700 0.50160800 0.50000000 1.0 Ni Ni43 1 0.63116100 0.50160800 0.50000000 1.0 Ni Ni44 1 0.63116100 0.12955300 0.50000000 1.0 Ni Ni45 1 0.49839200 0.36883900 0.50000000 1.0 Ni Ni46 1 0.61683900 0.38316100 0.00000000 1.0 Ni Ni47 1 0.61683900 0.23367800 0.00000000 1.0 Ni Ni48 1 0.76632200 0.38316100 0.00000000 1.0 Ni Ni49 1 0.85443300 0.14556700 0.50000000 1.0 Ni Ni50 1 0.85443300 0.70886700 0.50000000 1.0 Ni Ni51 1 0.29113300 0.14556700 0.50000000 1.0 P P52 1 0.33333300 0.66666700 0.00000000 1.0 P P53 1 0.14578700 0.85421300 0.50000000 1.0 P P54 1 0.14578700 0.29157500 0.50000000 1.0 P P55 1 0.70842500 0.85421300 0.50000000 1.0 P P56 1 0.11667900 0.44904700 0.00000000 1.0 P P57 1 0.55095300 0.66763300 0.00000000 1.0 P P58 1 0.55095300 0.88332100 0.00000000 1.0 P P59 1 0.33236700 0.88332100 0.00000000 1.0 P P60 1 0.33236700 0.44904700 0.00000000 1.0 P P61 1 0.11667900 0.66763300 0.00000000 1.0 P P62 1 0.54869500 0.45130500 0.00000000 1.0 P P63 1 0.54869500 0.09739000 0.00000000 1.0 P P64 1 0.90261000 0.45130500 0.00000000 1.0 P P65 1 0.35913400 0.07128600 0.50000000 1.0 P P66 1 0.92871400 0.28784700 0.50000000 1.0 P P67 1 0.92871400 0.64086600 0.50000000 1.0 P P68 1 0.71215300 0.64086600 0.50000000 1.0 P P69 1 0.71215300 0.07128600 0.50000000 1.0 P P70 1 0.35913400 0.28784700 0.50000000 1.0 P P71 1 0.92756500 0.07243500 0.50000000 1.0 P P72 1 0.92756500 0.85513000 0.50000000 1.0 P P73 1 0.14487000 0.07243500 0.50000000 1.0