# generated using pymatgen data_Ce6Ni6P17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66354320 _cell_length_b 8.66354320 _cell_length_c 8.66354320 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce6Ni6P17 _chemical_formula_sum 'Ce6 Ni6 P17' _cell_volume 500.56991640 _cell_formula_units_Z 1 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 Ce Ce0 1 0.00000000 0.70973900 0.70973900 1.0 Ce Ce1 1 0.29026100 0.00000000 0.29026100 1.0 Ce Ce2 1 0.29026100 0.29026100 0.00000000 1.0 Ce Ce3 1 0.00000000 0.29026100 0.29026100 1.0 Ce Ce4 1 0.70973900 0.00000000 0.70973900 1.0 Ce Ce5 1 0.70973900 0.70973900 0.00000000 1.0 Ni Ni6 1 0.50000000 0.75000000 0.25000000 1.0 Ni Ni7 1 0.75000000 0.50000000 0.25000000 1.0 Ni Ni8 1 0.25000000 0.75000000 0.50000000 1.0 Ni Ni9 1 0.25000000 0.50000000 0.75000000 1.0 Ni Ni10 1 0.50000000 0.25000000 0.75000000 1.0 Ni Ni11 1 0.75000000 0.25000000 0.50000000 1.0 P P12 1 0.63438700 0.23109600 0.00000000 1.0 P P13 1 0.40329200 0.76890400 0.76890400 1.0 P P14 1 0.63438700 0.00000000 0.23109600 1.0 P P15 1 0.23109600 0.63438700 0.00000000 1.0 P P16 1 0.00000000 0.63438700 0.23109600 1.0 P P17 1 0.76890400 0.40329200 0.76890400 1.0 P P18 1 0.76890400 0.76890400 0.40329200 1.0 P P19 1 0.00000000 0.23109600 0.63438700 1.0 P P20 1 0.23109600 0.00000000 0.63438700 1.0 P P21 1 0.36561300 0.36561300 0.59670800 1.0 P P22 1 0.59670800 0.36561300 0.36561300 1.0 P P23 1 0.36561300 0.59670800 0.36561300 1.0 P P24 1 0.42068000 0.00000000 0.00000000 1.0 P P25 1 0.00000000 0.42068000 0.00000000 1.0 P P26 1 0.00000000 0.00000000 0.42068000 1.0 P P27 1 0.57932000 0.57932000 0.57932000 1.0 P P28 1 0.00000000 0.00000000 0.00000000 1.0