# generated using pymatgen data_TaTi3(MnB2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77614633 _cell_length_b 5.77614698 _cell_length_c 3.16236873 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.05019642 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi3(MnB2)2 _chemical_formula_sum 'Ta1 Ti3 Mn2 B4' _cell_volume 105.50881927 _cell_formula_units_Z 1 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 0.31853068 0.81853068 0.50000000 1.0 Ti Ti1 1 0.81813588 0.68008195 0.50000000 1.0 Ti Ti2 1 0.18008195 0.31813588 0.50000000 1.0 Ti Ti3 1 0.68262259 0.18262259 0.50000000 1.0 Mn Mn4 1 0.50078924 0.49797221 0.00000000 1.0 Mn Mn5 1 0.99797221 0.00078924 0.00000000 1.0 B B6 1 0.10683689 0.60683689 0.00000000 1.0 B B7 1 0.88934849 0.38934849 0.00000000 1.0 B B8 1 0.61407195 0.89161113 0.00000000 1.0 B B9 1 0.39161113 0.11407195 0.00000000 1.0