# generated using pymatgen data_Lu2Nb3Ni9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67263012 _cell_length_b 9.24510394 _cell_length_c 9.24510359 _cell_angle_alpha 119.99999171 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Nb3Ni9P7 _chemical_formula_sum 'Lu2 Nb3 Ni9 P7' _cell_volume 271.85131611 _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 Lu Lu0 1 0.00000000 0.66666700 0.33333300 1.0 Lu Lu1 1 0.50000000 0.33333300 0.66666700 1.0 Nb Nb2 1 0.50000000 0.77367573 0.89383263 1.0 Nb Nb3 1 0.50000000 0.12015591 0.22632427 1.0 Nb Nb4 1 0.50000000 0.10616737 0.87984409 1.0 Ni Ni5 1 0.00000000 0.56435022 0.93260691 1.0 Ni Ni6 1 0.00000000 0.36825669 0.43564978 1.0 Ni Ni7 1 0.00000000 0.06739309 0.63174331 1.0 Ni Ni8 1 0.50000000 0.93927069 0.38711337 1.0 Ni Ni9 1 0.50000000 0.44784168 0.06072931 1.0 Ni Ni10 1 0.50000000 0.61288663 0.55215832 1.0 Ni Ni11 1 0.00000000 0.86943401 0.15816720 1.0 Ni Ni12 1 0.00000000 0.28873319 0.13056599 1.0 Ni Ni13 1 0.00000000 0.84183280 0.71126681 1.0 P P14 1 0.50000000 0.71029471 0.12295125 1.0 P P15 1 0.50000000 0.41265654 0.28970529 1.0 P P16 1 0.50000000 0.87704875 0.58734346 1.0 P P17 1 0.00000000 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.58181913 0.69393853 1.0 P P19 1 0.00000000 0.11211941 0.41818087 1.0 P P20 1 0.00000000 0.30606147 0.88788059 1.0