# generated using pymatgen data_Ta2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40841768 _cell_length_b 11.57848827 _cell_length_c 14.44580102 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2P _chemical_formula_sum 'Ta24 P12' _cell_volume 570.09377373 _cell_formula_units_Z 12 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 -0.00000000 0.47042663 0.39017358 1.0 Ta Ta1 1 0.00000000 0.52957337 0.60982642 1.0 Ta Ta2 1 0.50000000 0.97042663 0.10982642 1.0 Ta Ta3 1 0.50000000 0.02957337 0.89017358 1.0 Ta Ta4 1 -0.00000000 0.80452632 0.20520332 1.0 Ta Ta5 1 -0.00000000 0.19547368 0.79479668 1.0 Ta Ta6 1 0.50000000 0.30452632 0.29479668 1.0 Ta Ta7 1 0.50000000 0.69547368 0.70520332 1.0 Ta Ta8 1 0.00000000 0.87851798 0.42253196 1.0 Ta Ta9 1 -0.00000000 0.12148202 0.57746804 1.0 Ta Ta10 1 0.50000000 0.37851798 0.07746804 1.0 Ta Ta11 1 0.50000000 0.62148202 0.92253196 1.0 Ta Ta12 1 0.50000000 0.91198128 0.57985452 1.0 Ta Ta13 1 0.50000000 0.08801872 0.42014448 1.0 Ta Ta14 1 0.00000000 0.41198128 0.92014548 1.0 Ta Ta15 1 -0.00000000 0.58801872 0.07985552 1.0 Ta Ta16 1 0.50000000 0.42097903 0.75472101 1.0 Ta Ta17 1 0.50000000 0.57902097 0.24527899 1.0 Ta Ta18 1 0.00000000 0.92097903 0.74527899 1.0 Ta Ta19 1 0.00000000 0.07902097 0.25472101 1.0 Ta Ta20 1 0.50000000 0.34896355 0.52299428 1.0 Ta Ta21 1 0.50000000 0.65103645 0.47700572 1.0 Ta Ta22 1 -0.00000000 0.84896355 0.97700572 1.0 Ta Ta23 1 0.00000000 0.15103645 0.02299428 1.0 P P24 1 0.50000000 0.81510653 0.84827768 1.0 P P25 1 0.50000000 0.18489347 0.15172232 1.0 P P26 1 0.00000000 0.31510653 0.65172232 1.0 P P27 1 -0.00000000 0.68489347 0.34827768 1.0 P P28 1 0.50000000 0.25479270 0.91653170 1.0 P P29 1 0.50000000 0.74520730 0.08346830 1.0 P P30 1 0.00000000 0.75479270 0.58346830 1.0 P P31 1 -0.00000000 0.24520730 0.41653170 1.0 P P32 1 0.50000000 0.07661348 0.70500024 1.0 P P33 1 0.50000000 0.92338552 0.29499976 1.0 P P34 1 0.00000000 0.57661448 0.79499976 1.0 P P35 1 -0.00000000 0.42338652 0.20500024 1.0