# generated using pymatgen data_Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.22441287 _cell_length_b 10.22439916 _cell_length_c 5.30303150 _cell_angle_alpha 90.00000428 _cell_angle_beta 89.99999659 _cell_angle_gamma 90.00012670 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta _chemical_formula_sum Ta30 _cell_volume 554.37084370 _cell_formula_units_Z 30 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 0.96545499 0.37180373 0.00000011 1.0 Ta Ta1 1 0.26066048 0.93245341 0.50000005 1.0 Ta Ta2 1 0.31877287 0.68121519 0.74932861 1.0 Ta Ta3 1 0.12819303 0.46548654 0.49999991 1.0 Ta Ta4 1 0.87179488 0.53451016 0.49999983 1.0 Ta Ta5 1 0.89496624 0.10506755 -0.00000014 1.0 Ta Ta6 1 0.81880318 0.81876973 0.75066832 1.0 Ta Ta7 1 0.18119844 0.18121155 0.24932892 1.0 Ta Ta8 1 0.73933864 0.06755568 0.50000009 1.0 Ta Ta9 1 0.93246134 0.26068148 0.49999996 1.0 Ta Ta10 1 0.39496127 0.39497437 0.50000003 1.0 Ta Ta11 1 0.50000574 0.50000127 0.00000002 1.0 Ta Ta12 1 0.53450522 0.87179368 0.50000005 1.0 Ta Ta13 1 0.56751546 0.76065208 -0.00000007 1.0 Ta Ta14 1 0.03453263 0.62819926 0.00000004 1.0 Ta Ta15 1 0.60504842 0.60502255 0.50000004 1.0 Ta Ta16 1 0.31877291 0.68121521 0.25067146 1.0 Ta Ta17 1 0.68123174 0.31880559 0.25067548 1.0 Ta Ta18 1 0.00000824 0.00000179 0.49999998 1.0 Ta Ta19 1 0.81880310 0.81876930 0.24933197 1.0 Ta Ta20 1 0.68123172 0.31880565 0.74932447 1.0 Ta Ta21 1 0.43248116 0.23934195 -0.00000012 1.0 Ta Ta22 1 0.18119844 0.18121150 0.75067109 1.0 Ta Ta23 1 0.76067178 0.56750499 -0.00000019 1.0 Ta Ta24 1 0.37179314 0.96546068 0.00000009 1.0 Ta Ta25 1 0.06754403 0.73932058 0.50000002 1.0 Ta Ta26 1 0.62819357 0.03453493 -0.00000006 1.0 Ta Ta27 1 0.46547927 0.12819877 0.50000003 1.0 Ta Ta28 1 0.23932497 0.43248753 0.00000006 1.0 Ta Ta29 1 0.10505310 0.89494331 -0.00000006 1.0