# generated using pymatgen data_Nb9(NiP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.50959866 _cell_length_b 11.50959866 _cell_length_c 3.48107336 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb9(NiP2)2 _chemical_formula_sum 'Nb18 Ni4 P8' _cell_volume 461.14078603 _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 Nb Nb0 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb1 1 0.50000000 0.50000000 0.00000000 1.0 Nb Nb2 1 0.10295197 0.18307861 0.50000000 1.0 Nb Nb3 1 0.18307861 0.89704803 0.50000000 1.0 Nb Nb4 1 0.81692139 0.10295197 0.50000000 1.0 Nb Nb5 1 0.89704803 0.81692139 0.50000000 1.0 Nb Nb6 1 0.39704803 0.68307861 0.50000000 1.0 Nb Nb7 1 0.60295197 0.31692139 0.50000000 1.0 Nb Nb8 1 0.68307861 0.60295197 0.50000000 1.0 Nb Nb9 1 0.31692139 0.39704803 0.50000000 1.0 Nb Nb10 1 0.10221828 0.39778172 0.00000000 1.0 Nb Nb11 1 0.39778172 0.89778172 0.00000000 1.0 Nb Nb12 1 0.60221828 0.10221828 0.00000000 1.0 Nb Nb13 1 0.89778172 0.60221828 0.00000000 1.0 Nb Nb14 1 0.39337829 0.10662171 0.50000000 1.0 Nb Nb15 1 0.10662171 0.60662171 0.50000000 1.0 Nb Nb16 1 0.89337829 0.39337829 0.50000000 1.0 Nb Nb17 1 0.60662171 0.89337829 0.50000000 1.0 Ni Ni18 1 0.26525428 0.23474572 0.00000000 1.0 Ni Ni19 1 0.23474572 0.73474572 0.00000000 1.0 Ni Ni20 1 0.76525428 0.26525428 0.00000000 1.0 Ni Ni21 1 0.73474572 0.76525428 0.00000000 1.0 P P22 1 0.22668062 0.05286553 0.00000000 1.0 P P23 1 0.05286553 0.77331938 0.00000000 1.0 P P24 1 0.94713447 0.22668062 0.00000000 1.0 P P25 1 0.77331938 0.94713447 0.00000000 1.0 P P26 1 0.27331938 0.55286553 0.00000000 1.0 P P27 1 0.72668062 0.44713447 0.00000000 1.0 P P28 1 0.55286553 0.72668062 0.00000000 1.0 P P29 1 0.44713447 0.27331938 0.00000000 1.0