# generated using pymatgen data_Ta3Ti(CrB2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89488779 _cell_length_b 5.89488779 _cell_length_c 3.20639230 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.92647233 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Ti(CrB2)2 _chemical_formula_sum 'Ta3 Ti1 Cr2 B4' _cell_volume 111.42108540 _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 0.31981796 0.81981796 0.50000000 1.0 Ta Ta1 1 0.18107703 0.31746433 0.50000000 1.0 Ta Ta2 1 0.81746433 0.68107703 0.50000000 1.0 Ti Ti3 1 0.68112603 0.18112603 0.50000000 1.0 Cr Cr4 1 0.50073756 0.49784444 0.00000000 1.0 Cr Cr5 1 0.99784444 0.00073756 0.00000000 1.0 B B6 1 0.11037160 0.61037160 0.00000000 1.0 B B7 1 0.88702609 0.38702609 0.00000000 1.0 B B8 1 0.61131662 0.89321833 0.00000000 1.0 B B9 1 0.39321833 0.11131662 0.00000000 1.0