# generated using pymatgen data_Ta3CoTc2B3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16017452 _cell_length_b 8.91344847 _cell_length_c 15.20826367 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3CoTc2B3 _chemical_formula_sum 'Ta12 Co4 Tc8 B12' _cell_volume 428.38717298 _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 0.00000000 0.80590558 0.49270640 1.0 Ta Ta1 1 0.00000000 0.19409442 0.50729360 1.0 Ta Ta2 1 0.00000000 0.30590558 0.00729360 1.0 Ta Ta3 1 0.00000000 0.69409442 0.99270640 1.0 Ta Ta4 1 0.00000000 0.51571977 0.59789281 1.0 Ta Ta5 1 0.00000000 0.48428023 0.40210719 1.0 Ta Ta6 1 0.00000000 0.01571977 0.90210719 1.0 Ta Ta7 1 0.00000000 0.98428023 0.09789281 1.0 Ta Ta8 1 0.00000000 0.68001180 0.20739824 1.0 Ta Ta9 1 0.00000000 0.31998820 0.79260176 1.0 Ta Ta10 1 0.00000000 0.18001180 0.29260176 1.0 Ta Ta11 1 0.00000000 0.81998820 0.70739824 1.0 Co Co12 1 0.50000000 0.56979356 0.73198175 1.0 Co Co13 1 0.50000000 0.43020644 0.26801825 1.0 Co Co14 1 0.50000000 0.06979356 0.76801825 1.0 Co Co15 1 0.50000000 0.93020644 0.23198175 1.0 Tc Tc16 1 0.50000000 0.71827928 0.35322180 1.0 Tc Tc17 1 0.50000000 0.28172072 0.64677820 1.0 Tc Tc18 1 0.50000000 0.21827928 0.14677820 1.0 Tc Tc19 1 0.50000000 0.78172072 0.85322180 1.0 Tc Tc20 1 0.50000000 0.51761824 0.09849350 1.0 Tc Tc21 1 0.50000000 0.48238176 0.90150650 1.0 Tc Tc22 1 0.50000000 0.01761824 0.40150650 1.0 Tc Tc23 1 0.50000000 0.98238176 0.59849350 1.0 B B24 1 0.50000000 0.60456522 0.49568272 1.0 B B25 1 0.50000000 0.39543478 0.50431728 1.0 B B26 1 0.50000000 0.10456522 0.00431728 1.0 B B27 1 0.50000000 0.89543478 0.99568272 1.0 B B28 1 0.00000000 0.60734047 0.82570964 1.0 B B29 1 0.00000000 0.39265953 0.17429036 1.0 B B30 1 0.00000000 0.10734047 0.67429036 1.0 B B31 1 0.00000000 0.89265953 0.32570964 1.0 B B32 1 0.50000000 0.71469850 0.60193133 1.0 B B33 1 0.50000000 0.28530150 0.39806867 1.0 B B34 1 0.50000000 0.21469850 0.89806867 1.0 B B35 1 0.50000000 0.78530150 0.10193133 1.0