# generated using pymatgen data_Ti3Ga2Tc3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82563144 _cell_length_b 6.82563177 _cell_length_c 3.10473437 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000313 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Ga2Tc3B _chemical_formula_sum 'Ti3 Ga2 Tc3 B1' _cell_volume 125.26817662 _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 1.00000000 0.36437808 0.50000000 1.0 Ti Ti1 1 0.63562192 0.63562192 0.50000000 1.0 Ti Ti2 1 0.36437808 1.00000000 0.50000000 1.0 Ga Ga3 1 0.33333300 0.66666700 0.00000000 1.0 Ga Ga4 1 0.66666700 0.33333300 0.00000000 1.0 Tc Tc5 1 0.00000000 0.75700188 0.00000000 1.0 Tc Tc6 1 0.24299812 0.24299812 0.00000000 1.0 Tc Tc7 1 0.75700188 1.00000000 0.00000000 1.0 B B8 1 0.00000000 0.00000000 0.50000000 1.0