# generated using pymatgen data_Ti6NbTc12Mo5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39141421 _cell_length_b 6.22075183 _cell_length_c 13.17533485 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99983854 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6NbTc12Mo5 _chemical_formula_sum 'Ti6 Nb1 Tc12 Mo5' _cell_volume 359.92245352 _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 Ti Ti0 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti1 1 0.49994619 0.00000000 0.16783709 1.0 Ti Ti2 1 0.99994525 0.50000000 0.33333048 1.0 Ti Ti3 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti4 1 0.00005475 0.50000000 0.66666952 1.0 Ti Ti5 1 0.50005281 0.00000000 0.83216291 1.0 Nb Nb6 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc7 1 0.50000000 0.25422221 0.00000000 1.0 Tc Tc8 1 0.50000000 0.74577779 0.00000000 1.0 Tc Tc9 1 0.99994923 0.25176854 0.16942767 1.0 Tc Tc10 1 0.99994923 0.74823146 0.16942767 1.0 Tc Tc11 1 0.49995517 0.24991673 0.33440978 1.0 Tc Tc12 1 0.49995517 0.75008227 0.33440978 1.0 Tc Tc13 1 0.00000000 0.25029047 0.50000000 1.0 Tc Tc14 1 0.00000000 0.74970953 0.50000000 1.0 Tc Tc15 1 0.50004583 0.24991673 0.66559022 1.0 Tc Tc16 1 0.50004583 0.75008227 0.66559022 1.0 Tc Tc17 1 0.00004877 0.25176854 0.83057233 1.0 Tc Tc18 1 0.00004877 0.74823146 0.83057233 1.0 Mo Mo19 1 0.49994782 0.50000000 0.16700924 1.0 Mo Mo20 1 0.99994947 0.00000000 0.33409396 1.0 Mo Mo21 1 0.50000000 0.50000000 0.50000000 1.0 Mo Mo22 1 0.00005153 0.00000000 0.66590604 1.0 Mo Mo23 1 0.50005218 0.50000000 0.83299076 1.0