# generated using pymatgen data_Ta2Ti3NbP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.98522066 _cell_length_b 9.98522066 _cell_length_c 5.07298459 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Ti3NbP2 _chemical_formula_sum 'Ta8 Ti12 Nb4 P8' _cell_volume 505.80005948 _cell_formula_units_Z 4 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 0.39694075 0.91340374 0.46348337 1.0 Ta Ta1 1 0.41340374 0.10305925 0.96348337 1.0 Ta Ta2 1 0.58659626 0.89694075 0.96348337 1.0 Ta Ta3 1 0.60305925 0.08659626 0.46348337 1.0 Ta Ta4 1 0.10312807 0.58824784 0.03978200 1.0 Ta Ta5 1 0.08824784 0.39687193 0.53978200 1.0 Ta Ta6 1 0.91175216 0.60312807 0.53978200 1.0 Ta Ta7 1 0.89687193 0.41175216 0.03978200 1.0 Ti Ti8 1 0.02372817 0.85653801 0.27383197 1.0 Ti Ti9 1 0.35653801 0.47627183 0.77383197 1.0 Ti Ti10 1 0.64346199 0.52372817 0.77383197 1.0 Ti Ti11 1 0.97627183 0.14346199 0.27383197 1.0 Ti Ti12 1 0.47718898 0.64234755 0.22326664 1.0 Ti Ti13 1 0.14234755 0.02281102 0.72326664 1.0 Ti Ti14 1 0.85765245 0.97718898 0.72326664 1.0 Ti Ti15 1 0.52281102 0.35765245 0.22326664 1.0 Ti Ti16 1 0.28513483 0.81739534 0.98280089 1.0 Ti Ti17 1 0.31739534 0.21486517 0.48280089 1.0 Ti Ti18 1 0.68260466 0.78513483 0.48280089 1.0 Ti Ti19 1 0.71486517 0.18260466 0.98280089 1.0 Nb Nb20 1 0.21497890 0.68521489 0.51617079 1.0 Nb Nb21 1 0.18521489 0.28502110 0.01617079 1.0 Nb Nb22 1 0.81478511 0.71497890 0.01617079 1.0 Nb Nb23 1 0.78502110 0.31478511 0.51617079 1.0 P P24 1 0.03359102 0.79852636 0.78189415 1.0 P P25 1 0.29852636 0.46640898 0.28189415 1.0 P P26 1 0.70147364 0.53359102 0.28189415 1.0 P P27 1 0.96640898 0.20147364 0.78189415 1.0 P P28 1 0.46581389 0.70355868 0.71876920 1.0 P P29 1 0.20355868 0.03418611 0.21876920 1.0 P P30 1 0.79644132 0.96581389 0.21876920 1.0 P P31 1 0.53418611 0.29644132 0.71876920 1.0