# generated using pymatgen data_TaCoB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28348900 _cell_length_b 5.89064700 _cell_length_c 16.97716200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCoB _chemical_formula_sum 'Ta10 Co10 B10' _cell_volume 328.37013893 _cell_formula_units_Z 10 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 0.47161100 0.32068000 1.0 Ta Ta1 1 0.00000000 0.47161100 0.67932000 1.0 Ta Ta2 1 0.50000000 0.52838900 0.17932000 1.0 Ta Ta3 1 0.50000000 0.52838900 0.82068000 1.0 Ta Ta4 1 0.00000000 0.97808100 0.37504500 1.0 Ta Ta5 1 0.00000000 0.97808100 0.62495500 1.0 Ta Ta6 1 0.50000000 0.02191900 0.12495500 1.0 Ta Ta7 1 0.50000000 0.02191900 0.87504500 1.0 Ta Ta8 1 0.00000000 0.35633900 0.50000000 1.0 Ta Ta9 1 0.50000000 0.64366100 0.00000000 1.0 Co Co10 1 0.00000000 0.85547900 0.22620500 1.0 Co Co11 1 0.00000000 0.85547900 0.77379500 1.0 Co Co12 1 0.50000000 0.14452100 0.27379500 1.0 Co Co13 1 0.50000000 0.14452100 0.72620500 1.0 Co Co14 1 0.00000000 0.34990300 0.07113500 1.0 Co Co15 1 0.00000000 0.34990300 0.92886500 1.0 Co Co16 1 0.50000000 0.65009700 0.42886500 1.0 Co Co17 1 0.50000000 0.65009700 0.57113500 1.0 Co Co18 1 0.00000000 0.99401900 0.00000000 1.0 Co Co19 1 0.50000000 0.00598100 0.50000000 1.0 B B20 1 0.00000000 0.23234700 0.20141900 1.0 B B21 1 0.00000000 0.23234700 0.79858100 1.0 B B22 1 0.50000000 0.76765300 0.29858100 1.0 B B23 1 0.50000000 0.76765300 0.70141900 1.0 B B24 1 0.00000000 0.72906000 0.10032100 1.0 B B25 1 0.00000000 0.72906000 0.89967900 1.0 B B26 1 0.50000000 0.27094000 0.39967900 1.0 B B27 1 0.50000000 0.27094000 0.60032100 1.0 B B28 1 0.00000000 0.76883900 0.50000000 1.0 B B29 1 0.50000000 0.23116100 0.00000000 1.0