# generated using pymatgen data_Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30817345 _cell_length_b 10.22206745 _cell_length_c 10.22206745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta _chemical_formula_sum Ta30 _cell_volume 554.65456286 _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 0.24247177 0.50000000 0.00000000 1.0 Ta Ta1 1 0.75752823 0.00000000 0.50000000 1.0 Ta Ta2 1 0.24325356 0.76096598 0.06766803 1.0 Ta Ta3 1 0.75674644 0.06766803 0.23903402 1.0 Ta Ta4 1 0.75674644 0.93233197 0.76096598 1.0 Ta Ta5 1 0.24325356 0.23903402 0.93233197 1.0 Ta Ta6 1 0.75674644 0.26096598 0.43233197 1.0 Ta Ta7 1 0.75674644 0.73903402 0.56766803 1.0 Ta Ta8 1 0.24325356 0.43233197 0.73903402 1.0 Ta Ta9 1 0.24325356 0.56766803 0.26096598 1.0 Ta Ta10 1 0.25673670 0.03461636 0.12824804 1.0 Ta Ta11 1 0.74326330 0.12824804 0.96538364 1.0 Ta Ta12 1 0.74326330 0.87175196 0.03461636 1.0 Ta Ta13 1 0.25673670 0.96538364 0.87175196 1.0 Ta Ta14 1 0.74326330 0.53461636 0.37175196 1.0 Ta Ta15 1 0.74326330 0.46538364 0.62824804 1.0 Ta Ta16 1 0.25673670 0.37175196 0.46538364 1.0 Ta Ta17 1 0.25673670 0.62824804 0.53461636 1.0 Ta Ta18 1 0.74058596 0.60505229 0.10505229 1.0 Ta Ta19 1 0.25941404 0.10505229 0.39494771 1.0 Ta Ta20 1 0.25941404 0.89494771 0.60505229 1.0 Ta Ta21 1 0.74058596 0.39494771 0.89494771 1.0 Ta Ta22 1 0.00222637 0.81904542 0.31904542 1.0 Ta Ta23 1 0.99777363 0.31904542 0.18095458 1.0 Ta Ta24 1 0.99777363 0.68095458 0.81904542 1.0 Ta Ta25 1 0.00222637 0.18095458 0.68095458 1.0 Ta Ta26 1 0.49923693 0.31887037 0.18112963 1.0 Ta Ta27 1 0.50076307 0.18112963 0.68112963 1.0 Ta Ta28 1 0.50076307 0.81887037 0.31887037 1.0 Ta Ta29 1 0.49923693 0.68112963 0.81887037 1.0