# generated using pymatgen data_Sm4Fe34C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49543320 _cell_length_b 6.48024869 _cell_length_c 12.99644770 _cell_angle_alpha 83.61427879 _cell_angle_beta 83.82558406 _cell_angle_gamma 83.81974698 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4Fe34C3 _chemical_formula_sum 'Sm4 Fe34 C3' _cell_volume 537.95795071 _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 0.66584100 0.65049500 0.32635400 1.0 Sm Sm1 1 0.66225900 0.66191900 0.82388400 1.0 Sm Sm2 1 0.33415900 0.34950500 0.17364600 1.0 Sm Sm3 1 0.33774100 0.33808100 0.67611600 1.0 Fe Fe4 1 0.34081200 0.34424600 0.42861200 1.0 Fe Fe5 1 0.34263800 0.34204200 0.92580300 1.0 Fe Fe6 1 0.34147800 0.85475200 0.17136000 1.0 Fe Fe7 1 0.34176000 0.84991600 0.67182200 1.0 Fe Fe8 1 0.85313500 0.34229600 0.17100000 1.0 Fe Fe9 1 0.84910800 0.34214200 0.67203600 1.0 Fe Fe10 1 0.65918800 0.65575400 0.07138800 1.0 Fe Fe11 1 0.65736200 0.65795800 0.57419700 1.0 Fe Fe12 1 0.65852200 0.14524800 0.32864000 1.0 Fe Fe13 1 0.65824000 0.15008400 0.82817800 1.0 Fe Fe14 1 0.14686500 0.65770400 0.32900000 1.0 Fe Fe15 1 0.15089200 0.65785800 0.82796400 1.0 Fe Fe16 1 0.90311300 0.90409600 0.45245900 1.0 Fe Fe17 1 0.90585400 0.90534100 0.95063100 1.0 Fe Fe18 1 0.09688700 0.09590400 0.04754100 1.0 Fe Fe19 1 0.09414600 0.09465900 0.54936900 1.0 Fe Fe20 1 0.00000000 0.00000000 0.25000000 1.0 Fe Fe21 1 0.00000000 0.00000000 0.75000000 1.0 Fe Fe22 1 0.00098800 0.50054400 0.99930000 1.0 Fe Fe23 1 0.99901200 0.49945600 0.50070000 1.0 Fe Fe24 1 0.50116800 0.99826300 0.99877200 1.0 Fe Fe25 1 0.49883200 0.00173700 0.50122800 1.0 Fe Fe26 1 0.28523300 0.71643500 0.99934100 1.0 Fe Fe27 1 0.28525100 0.71575600 0.50029300 1.0 Fe Fe28 1 0.71379000 0.00064400 0.14196000 1.0 Fe Fe29 1 0.71258700 0.00051600 0.64420400 1.0 Fe Fe30 1 0.00171600 0.28504200 0.35779000 1.0 Fe Fe31 1 0.99854700 0.28760300 0.85623800 1.0 Fe Fe32 1 0.28621000 0.99935600 0.35804000 1.0 Fe Fe33 1 0.28741300 0.99948400 0.85579600 1.0 Fe Fe34 1 0.99828400 0.71495800 0.14221000 1.0 Fe Fe35 1 0.00145300 0.71239700 0.64376200 1.0 Fe Fe36 1 0.71476700 0.28356500 0.50065900 1.0 Fe Fe37 1 0.71474900 0.28424400 0.99970700 1.0 C C38 1 0.49918500 0.49974000 0.99857000 1.0 C C39 1 0.50081500 0.50026000 0.50143000 1.0 C C40 1 0.50000000 0.00000000 0.25000000 1.0