# generated using pymatgen data_Sm3GaNiS7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74866924 _cell_length_b 9.74866924 _cell_length_c 6.18648300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999487 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3GaNiS7 _chemical_formula_sum 'Sm6 Ga2 Ni2 S14' _cell_volume 509.17274596 _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 Sm Sm0 1 0.15452400 0.37421300 0.32147900 1.0 Sm Sm1 1 0.21968800 0.84547600 0.32147900 1.0 Sm Sm2 1 0.62578700 0.78031200 0.32147900 1.0 Sm Sm3 1 0.84547600 0.62578700 0.82147900 1.0 Sm Sm4 1 0.78031200 0.15452400 0.82147900 1.0 Sm Sm5 1 0.37421300 0.21968800 0.82147900 1.0 Ga Ga6 1 0.66666700 0.33333300 0.39511000 1.0 Ga Ga7 1 0.33333300 0.66666700 0.89511000 1.0 Ni Ni8 1 0.00000000 0.00000000 0.00592300 1.0 Ni Ni9 1 0.00000000 0.00000000 0.50592300 1.0 S S10 1 0.43250900 0.52052800 0.04853300 1.0 S S11 1 0.08801800 0.56749100 0.04853300 1.0 S S12 1 0.47947200 0.91198200 0.04853300 1.0 S S13 1 0.56749100 0.47947200 0.54853300 1.0 S S14 1 0.91198200 0.43250900 0.54853300 1.0 S S15 1 0.52052800 0.08801800 0.54853300 1.0 S S16 1 0.66666700 0.33333300 0.03042800 1.0 S S17 1 0.33333300 0.66666700 0.53042800 1.0 S S18 1 0.86841900 0.09664700 0.24094700 1.0 S S19 1 0.22822800 0.13158100 0.24094700 1.0 S S20 1 0.90335300 0.77177200 0.24094700 1.0 S S21 1 0.13158100 0.90335300 0.74094700 1.0 S S22 1 0.77177200 0.86841900 0.74094700 1.0 S S23 1 0.09664700 0.22822800 0.74094700 1.0