# generated using pymatgen data_Sm3MnGaS7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.97460943 _cell_length_b 9.97460943 _cell_length_c 6.06639300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999625 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3MnGaS7 _chemical_formula_sum 'Sm6 Mn2 Ga2 S14' _cell_volume 522.70058831 _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 0.76580500 0.14098800 0.24544500 1.0 Sm Sm1 1 0.37518300 0.23419500 0.24544500 1.0 Sm Sm2 1 0.85901200 0.62481700 0.24544500 1.0 Sm Sm3 1 0.23419500 0.85901200 0.74544500 1.0 Sm Sm4 1 0.62481700 0.76580500 0.74544500 1.0 Sm Sm5 1 0.14098800 0.37518300 0.74544500 1.0 Mn Mn6 1 0.00000000 0.00000000 0.02285800 1.0 Mn Mn7 1 0.00000000 0.00000000 0.52285800 1.0 Ga Ga8 1 0.66666700 0.33333300 0.66885900 1.0 Ga Ga9 1 0.33333300 0.66666700 0.16885900 1.0 S S10 1 0.85221600 0.09366400 0.79654000 1.0 S S11 1 0.24144800 0.14778400 0.79654000 1.0 S S12 1 0.90633600 0.75855200 0.79654000 1.0 S S13 1 0.14778400 0.90633600 0.29654000 1.0 S S14 1 0.75855200 0.85221600 0.29654000 1.0 S S15 1 0.09366400 0.24144800 0.29654000 1.0 S S16 1 0.90520200 0.42030900 0.50975400 1.0 S S17 1 0.51510700 0.09479800 0.50975400 1.0 S S18 1 0.57969100 0.48489300 0.50975400 1.0 S S19 1 0.09479800 0.57969100 0.00975400 1.0 S S20 1 0.48489300 0.90520200 0.00975400 1.0 S S21 1 0.42030900 0.51510700 0.00975400 1.0 S S22 1 0.66666700 0.33333300 0.04006800 1.0 S S23 1 0.33333300 0.66666700 0.54006800 1.0