# generated using pymatgen data_Nb2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46254098 _cell_length_b 13.92368752 _cell_length_c 18.08919573 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2P _chemical_formula_sum 'Nb36 P18' _cell_volume 872.10434090 _cell_formula_units_Z 18 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 0.34354981 0.06186526 1.0 Nb Nb1 1 -0.00000000 0.65645019 0.93813474 1.0 Nb Nb2 1 0.00000000 0.34354981 0.43813474 1.0 Nb Nb3 1 -0.00000000 0.65645019 0.56186526 1.0 Nb Nb4 1 -0.00000000 0.56936716 0.12060275 1.0 Nb Nb5 1 -0.00000000 0.43063284 0.87939725 1.0 Nb Nb6 1 0.00000000 0.56936716 0.37939725 1.0 Nb Nb7 1 0.00000000 0.43063284 0.62060275 1.0 Nb Nb8 1 0.50000000 0.16142940 0.00086057 1.0 Nb Nb9 1 0.50000000 0.83857060 0.99913943 1.0 Nb Nb10 1 0.50000000 0.16142940 0.49913943 1.0 Nb Nb11 1 0.50000000 0.83857060 0.50086057 1.0 Nb Nb12 1 0.50000000 0.00379822 0.14360739 1.0 Nb Nb13 1 0.50000000 0.99620178 0.85639261 1.0 Nb Nb14 1 0.50000000 0.00379822 0.35639261 1.0 Nb Nb15 1 0.50000000 0.99620178 0.64360739 1.0 Nb Nb16 1 0.50000000 0.24059195 0.16491245 1.0 Nb Nb17 1 0.50000000 0.75940805 0.83508755 1.0 Nb Nb18 1 0.50000000 0.24059195 0.33508855 1.0 Nb Nb19 1 0.50000000 0.75940805 0.66491245 1.0 Nb Nb20 1 0.50000000 0.23824182 0.66241124 1.0 Nb Nb21 1 0.50000000 0.76175818 0.33758876 1.0 Nb Nb22 1 0.50000000 0.23824182 0.83758876 1.0 Nb Nb23 1 0.50000000 0.76175818 0.16241124 1.0 Nb Nb24 1 -0.00000000 0.11894003 0.25000000 1.0 Nb Nb25 1 0.00000000 0.88105997 0.75000000 1.0 Nb Nb26 1 -0.00000000 0.38627481 0.25000000 1.0 Nb Nb27 1 0.00000000 0.61372519 0.75000000 1.0 Nb Nb28 1 -0.00000000 0.88804030 0.25000000 1.0 Nb Nb29 1 -0.00000000 0.11195870 0.75000000 1.0 Nb Nb30 1 0.50000000 0.56092509 0.25000000 1.0 Nb Nb31 1 0.50000000 0.43907491 0.75000000 1.0 Nb Nb32 1 0.50000000 0.50000000 -0.00000000 1.0 Nb Nb33 1 0.50000000 0.50000000 0.50000000 1.0 Nb Nb34 1 0.00000000 -0.00000000 -0.00000000 1.0 Nb Nb35 1 0.00000000 -0.00000000 0.50000000 1.0 P P36 1 -0.00000000 0.13651368 0.10360035 1.0 P P37 1 0.00000000 0.86348632 0.89639965 1.0 P P38 1 0.00000000 0.13651368 0.39639965 1.0 P P39 1 0.00000000 0.86348632 0.60360035 1.0 P P40 1 0.00000000 0.12735042 0.60452633 1.0 P P41 1 0.00000000 0.87264958 0.39547367 1.0 P P42 1 -0.00000000 0.12735042 0.89547367 1.0 P P43 1 0.00000000 0.87264958 0.10452733 1.0 P P44 1 0.50000000 0.43154740 0.14375919 1.0 P P45 1 0.50000000 0.56845260 0.85624081 1.0 P P46 1 0.50000000 0.43154740 0.35624081 1.0 P P47 1 0.50000000 0.56845260 0.64375919 1.0 P P48 1 0.50000000 0.32922578 0.54545410 1.0 P P49 1 0.50000000 0.67077422 0.45454590 1.0 P P50 1 0.50000000 0.32922578 0.95454590 1.0 P P51 1 0.50000000 0.67077422 0.04545410 1.0 P P52 1 0.00000000 0.69008237 0.25000000 1.0 P P53 1 -0.00000000 0.30991763 0.75000000 1.0