# generated using pymatgen data_Ta3P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00194792 _cell_length_b 10.10667786 _cell_length_c 10.10667786 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3P _chemical_formula_sum 'Ta24 P8' _cell_volume 510.92365700 _cell_formula_units_Z 8 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 0.75000000 0.34219355 0.15780645 1.0 Ta Ta1 1 0.25000000 0.15780645 0.15780645 1.0 Ta Ta2 1 0.75000000 0.84219355 0.84219355 1.0 Ta Ta3 1 0.50000000 0.39659135 0.75000000 1.0 Ta Ta4 1 0.75000000 0.04856473 0.04856473 1.0 Ta Ta5 1 0.75000000 0.15780645 0.34219355 1.0 Ta Ta6 1 0.00000000 0.75000000 0.10340865 1.0 Ta Ta7 1 0.25000000 0.34219355 0.34219355 1.0 Ta Ta8 1 0.25000000 0.04856473 0.45143527 1.0 Ta Ta9 1 0.00000000 0.25000000 0.89659135 1.0 Ta Ta10 1 0.25000000 0.54856473 0.54856473 1.0 Ta Ta11 1 0.75000000 0.95143527 0.54856473 1.0 Ta Ta12 1 0.50000000 0.60340865 0.25000000 1.0 Ta Ta13 1 0.25000000 0.95143527 0.95143527 1.0 Ta Ta14 1 0.25000000 0.65780645 0.84219355 1.0 Ta Ta15 1 0.00000000 0.25000000 0.60340865 1.0 Ta Ta16 1 0.75000000 0.54856473 0.95143527 1.0 Ta Ta17 1 0.50000000 0.89659135 0.25000000 1.0 Ta Ta18 1 0.75000000 0.45143527 0.45143527 1.0 Ta Ta19 1 0.25000000 0.84219355 0.65780645 1.0 Ta Ta20 1 0.50000000 0.10340865 0.75000000 1.0 Ta Ta21 1 0.75000000 0.65780645 0.65780645 1.0 Ta Ta22 1 0.25000000 0.45143527 0.04856473 1.0 Ta Ta23 1 -0.00000000 0.75000000 0.39659135 1.0 P P24 1 0.00000000 0.54274020 0.25000000 1.0 P P25 1 0.00000000 0.04274020 0.75000000 1.0 P P26 1 0.50000000 0.75000000 0.45725980 1.0 P P27 1 0.50000000 0.75000000 0.04274020 1.0 P P28 1 -0.00000000 0.95725980 0.25000000 1.0 P P29 1 0.50000000 0.25000000 0.95725980 1.0 P P30 1 0.50000000 0.25000000 0.54274020 1.0 P P31 1 0.00000000 0.45725980 0.75000000 1.0