# generated using pymatgen data_Sc2GaTc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18665293 _cell_length_b 5.18665410 _cell_length_c 8.64320045 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000515 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2GaTc3 _chemical_formula_sum 'Sc4 Ga2 Tc6' _cell_volume 201.36299731 _cell_formula_units_Z 2 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 Sc Sc0 1 0.33333300 0.66666700 0.43189843 1.0 Sc Sc1 1 0.66666700 0.33333300 0.56810157 1.0 Sc Sc2 1 0.66666700 0.33333300 0.93189843 1.0 Sc Sc3 1 0.33333300 0.66666700 0.06810157 1.0 Ga Ga4 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga5 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc6 1 0.82724947 0.17275053 0.25000000 1.0 Tc Tc7 1 0.82724947 0.65449994 0.25000000 1.0 Tc Tc8 1 0.34550006 0.17275053 0.25000000 1.0 Tc Tc9 1 0.17275053 0.82724947 0.75000000 1.0 Tc Tc10 1 0.17275053 0.34550006 0.75000000 1.0 Tc Tc11 1 0.65449994 0.82724947 0.75000000 1.0