# generated using pymatgen data_Sm2GaTc16C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97924689 _cell_length_b 6.92149756 _cell_length_c 6.92149877 _cell_angle_alpha 82.75291092 _cell_angle_beta 82.42716433 _cell_angle_gamma 82.42717477 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2GaTc16C3 _chemical_formula_sum 'Sm2 Ga1 Tc16 C3' _cell_volume 326.52933004 _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 Sm Sm0 1 0.65521602 0.65322168 0.65322168 1.0 Sm Sm1 1 0.34478398 0.34677832 0.34677832 1.0 Ga Ga2 1 0.50000000 0.00000000 0.00000000 1.0 Tc Tc3 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc4 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc5 1 0.72244240 0.27519893 0.00409661 1.0 Tc Tc6 1 0.00000000 0.72458952 0.27541048 1.0 Tc Tc7 1 0.27755760 0.99590339 0.72480107 1.0 Tc Tc8 1 1.00000000 0.27541048 0.72458952 1.0 Tc Tc9 1 0.72244240 0.00409661 0.27519893 1.0 Tc Tc10 1 0.27755760 0.72480107 0.99590339 1.0 Tc Tc11 1 0.34942198 0.35028657 0.85643952 1.0 Tc Tc12 1 0.85895524 0.35392350 0.35392350 1.0 Tc Tc13 1 0.34942198 0.85643952 0.35028657 1.0 Tc Tc14 1 0.65057802 0.64971343 0.14356048 1.0 Tc Tc15 1 0.14104476 0.64607650 0.64607650 1.0 Tc Tc16 1 0.65057802 0.14356048 0.64971343 1.0 Tc Tc17 1 0.90706615 0.90051298 0.90051298 1.0 Tc Tc18 1 0.09293385 0.09948702 0.09948702 1.0 C C19 1 0.50000000 0.50000000 0.00000000 1.0 C C20 1 0.00000000 0.50000000 0.50000000 1.0 C C21 1 0.50000000 0.00000000 0.50000000 1.0