# generated using pymatgen data_Ac6Ni6P17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.98636367 _cell_length_b 8.98636348 _cell_length_c 8.98636416 _cell_angle_alpha 109.47122441 _cell_angle_beta 109.47122399 _cell_angle_gamma 109.47121453 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac6Ni6P17 _chemical_formula_sum 'Ac6 Ni6 P17' _cell_volume 558.63750449 _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 Ac Ac0 1 0.70791673 0.00000000 0.70791673 1.0 Ac Ac1 1 0.29208327 0.29208327 0.00000000 1.0 Ac Ac2 1 0.70791673 0.70791673 0.00000000 1.0 Ac Ac3 1 0.00000000 0.29208327 0.29208327 1.0 Ac Ac4 1 0.00000000 0.70791673 0.70791673 1.0 Ac Ac5 1 0.29208327 0.00000000 0.29208327 1.0 Ni Ni6 1 0.75000000 0.50000000 0.25000000 1.0 Ni Ni7 1 0.25000000 0.75000000 0.50000000 1.0 Ni Ni8 1 0.75000000 0.25000000 0.50000000 1.0 Ni Ni9 1 0.50000000 0.25000000 0.75000000 1.0 Ni Ni10 1 0.50000000 0.75000000 0.25000000 1.0 Ni Ni11 1 0.25000000 0.50000000 0.75000000 1.0 P P12 1 0.00000000 0.00000000 0.00000000 1.0 P P13 1 0.56274561 0.56274561 0.56274561 1.0 P P14 1 1.00000000 0.43725439 0.00000000 1.0 P P15 1 0.43725439 1.00000000 0.00000000 1.0 P P16 1 0.00000000 0.00000000 0.43725439 1.0 P P17 1 0.36909084 0.36909084 0.60422623 1.0 P P18 1 1.00000000 0.23513539 0.63090916 1.0 P P19 1 0.23513539 1.00000000 0.63090916 1.0 P P20 1 0.76486461 0.39577377 0.76486461 1.0 P P21 1 0.39577377 0.76486461 0.76486461 1.0 P P22 1 0.60422623 0.36909084 0.36909084 1.0 P P23 1 0.00000000 0.63090916 0.23513539 1.0 P P24 1 0.76486461 0.76486461 0.39577377 1.0 P P25 1 0.63090916 0.23513539 0.00000000 1.0 P P26 1 0.23513539 0.63090916 0.00000000 1.0 P P27 1 0.36909084 0.60422623 0.36909084 1.0 P P28 1 0.63090916 0.00000000 0.23513539 1.0