# generated using pymatgen data_Nb2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98060400 _cell_length_b 13.25761600 _cell_length_c 18.63925600 _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 983.65540803 _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 0.50000000 0.04735700 0.75000000 1.0 Nb Nb1 1 0.00000000 0.44179200 0.63377700 1.0 Nb Nb2 1 0.00000000 0.55820800 0.36622300 1.0 Nb Nb3 1 0.50000000 0.22808200 0.33011500 1.0 Nb Nb4 1 0.50000000 0.00725100 0.11861100 1.0 Nb Nb5 1 0.50000000 0.15076200 0.49231800 1.0 Nb Nb6 1 0.50000000 0.99274900 0.88138900 1.0 Nb Nb7 1 0.00000000 0.89047100 0.75000000 1.0 Nb Nb8 1 0.50000000 0.22808200 0.16988500 1.0 Nb Nb9 1 0.00000000 0.55820800 0.13377700 1.0 Nb Nb10 1 0.00000000 0.67721500 0.57803200 1.0 Nb Nb11 1 0.50000000 0.84923800 0.99231800 1.0 Nb Nb12 1 0.50000000 0.00725100 0.38138900 1.0 Nb Nb13 1 0.00000000 0.60558300 0.75000000 1.0 Nb Nb14 1 0.00000000 0.10952900 0.25000000 1.0 Nb Nb15 1 0.50000000 0.77191800 0.66988500 1.0 Nb Nb16 1 0.00000000 0.32278500 0.42196800 1.0 Nb Nb17 1 0.50000000 0.23016400 0.83956000 1.0 Nb Nb18 1 0.50000000 0.23016400 0.66044000 1.0 Nb Nb19 1 0.50000000 0.76983600 0.33956000 1.0 Nb Nb20 1 0.50000000 0.77191800 0.83011500 1.0 Nb Nb21 1 0.50000000 0.76983600 0.16044000 1.0 Nb Nb22 1 0.50000000 0.50000000 0.50000000 1.0 Nb Nb23 1 0.00000000 0.39441700 0.25000000 1.0 Nb Nb24 1 0.00000000 0.67721500 0.92196800 1.0 Nb Nb25 1 0.00000000 0.35596500 0.75000000 1.0 Nb Nb26 1 0.50000000 0.99274900 0.61861100 1.0 Nb Nb27 1 0.00000000 0.64403500 0.25000000 1.0 Nb Nb28 1 0.50000000 0.84923800 0.50768200 1.0 Nb Nb29 1 0.50000000 0.15076200 0.00768200 1.0 Nb Nb30 1 0.00000000 0.50000000 0.00000000 1.0 Nb Nb31 1 0.50000000 0.95264300 0.25000000 1.0 Nb Nb32 1 0.00000000 0.32278500 0.07803200 1.0 Nb Nb33 1 0.00000000 0.44179200 0.86622300 1.0 Nb Nb34 1 0.00000000 0.50000000 0.50000000 1.0 Nb Nb35 1 0.50000000 0.50000000 0.00000000 1.0 P P36 1 0.50000000 0.57648300 0.64989800 1.0 P P37 1 0.00000000 0.12036200 0.91423100 1.0 P P38 1 0.50000000 0.32065300 0.54102300 1.0 P P39 1 0.50000000 0.67934700 0.04102300 1.0 P P40 1 0.00000000 0.87963800 0.41423100 1.0 P P41 1 0.00000000 0.87963800 0.08576900 1.0 P P42 1 0.00000000 0.86454400 0.60527300 1.0 P P43 1 0.50000000 0.32065300 0.95897700 1.0 P P44 1 0.00000000 0.16607700 0.75000000 1.0 P P45 1 0.00000000 0.12036200 0.58576900 1.0 P P46 1 0.00000000 0.86454400 0.89472700 1.0 P P47 1 0.00000000 0.83392300 0.25000000 1.0 P P48 1 0.00000000 0.13545600 0.10527300 1.0 P P49 1 0.50000000 0.67934700 0.45897700 1.0 P P50 1 0.50000000 0.42351700 0.14989800 1.0 P P51 1 0.50000000 0.42351700 0.35010200 1.0 P P52 1 0.00000000 0.13545600 0.39472700 1.0 P P53 1 0.50000000 0.57648300 0.85010200 1.0