# generated using pymatgen data_Ta3Ti8Mo3P8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48784164 _cell_length_b 7.48783964 _cell_length_c 13.57781500 _cell_angle_alpha 76.35295885 _cell_angle_beta 76.35296168 _cell_angle_gamma 26.13335946 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Ti8Mo3P8 _chemical_formula_sum 'Ta3 Ti8 Mo3 P8' _cell_volume 325.32936093 _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 Ta Ta0 1 0.50000000 0.50000000 0.50000000 1.0 Ta Ta1 1 0.42878269 0.42878269 0.17254261 1.0 Ta Ta2 1 0.57121731 0.57121731 0.82745739 1.0 Ti Ti3 1 0.20862197 0.20862197 0.20447608 1.0 Ti Ti4 1 0.79137803 0.79137803 0.79552392 1.0 Ti Ti5 1 0.33955477 0.33955477 0.97000174 1.0 Ti Ti6 1 0.66044523 0.66044523 0.02999826 1.0 Ti Ti7 1 0.00268974 0.00268974 0.33328924 1.0 Ti Ti8 1 0.99731026 0.99731026 0.66671076 1.0 Ti Ti9 1 0.17752984 0.17752984 0.45934938 1.0 Ti Ti10 1 0.82247016 0.82247016 0.54065062 1.0 Mo Mo11 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo12 1 0.19738889 0.19738889 0.68910541 1.0 Mo Mo13 1 0.80261111 0.80261111 0.31089459 1.0 P P14 1 0.18025125 0.18025125 0.89158205 1.0 P P15 1 0.81974875 0.81974875 0.10841795 1.0 P P16 1 0.37344767 0.37344767 0.39652125 1.0 P P17 1 0.62655233 0.62655233 0.60347875 1.0 P P18 1 0.36986313 0.36986313 0.66177810 1.0 P P19 1 0.63013687 0.63013687 0.33822190 1.0 P P20 1 0.06409570 0.06409570 0.15080795 1.0 P P21 1 0.93590430 0.93590430 0.84919205 1.0