# generated using pymatgen data_Ti11Nb3P8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57811937 _cell_length_b 7.57811978 _cell_length_c 13.59032176 _cell_angle_alpha 75.62299451 _cell_angle_beta 75.62299336 _cell_angle_gamma 26.01029354 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti11Nb3P8 _chemical_formula_sum 'Ti11 Nb3 P8' _cell_volume 330.95866071 _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 Ti Ti0 1 0.66111308 0.66111308 0.03272204 1.0 Ti Ti1 1 0.33888692 0.33888692 0.96727796 1.0 Ti Ti2 1 0.99599604 0.99599604 0.66267328 1.0 Ti Ti3 1 0.00400396 0.00400396 0.33732672 1.0 Ti Ti4 1 0.82184669 0.82184669 0.54091420 1.0 Ti Ti5 1 0.17815331 0.17815331 0.45908580 1.0 Ti Ti6 1 0.20553162 0.20553162 0.20536961 1.0 Ti Ti7 1 0.79446838 0.79446838 0.79463039 1.0 Ti Ti8 1 0.19712797 0.19712797 0.69211395 1.0 Ti Ti9 1 0.80287203 0.80287203 0.30788605 1.0 Ti Ti10 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb11 1 0.42682493 0.42682493 0.16988982 1.0 Nb Nb12 1 0.57317507 0.57317507 0.83011018 1.0 Nb Nb13 1 0.50000000 0.50000000 0.50000000 1.0 P P14 1 0.06300146 0.06300146 0.15099348 1.0 P P15 1 0.93699854 0.93699854 0.84900652 1.0 P P16 1 0.36784024 0.36784024 0.66038552 1.0 P P17 1 0.63215976 0.63215976 0.33961448 1.0 P P18 1 0.37238978 0.37238978 0.39337243 1.0 P P19 1 0.62761022 0.62761022 0.60662757 1.0 P P20 1 0.18166065 0.18166065 0.89183532 1.0 P P21 1 0.81833935 0.81833935 0.10816468 1.0