# generated using pymatgen data_Sm4FeCo3I2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03403443 _cell_length_b 4.03403436 _cell_length_c 17.34730721 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000062 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4FeCo3I2 _chemical_formula_sum 'Sm4 Fe1 Co3 I2' _cell_volume 244.47918679 _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 0.00000000 0.00000000 0.10845048 1.0 Sm Sm1 1 0.00000000 0.00000000 0.39447590 1.0 Sm Sm2 1 0.00000000 0.00000000 0.89402881 1.0 Sm Sm3 1 0.00000000 0.00000000 0.60524335 1.0 Fe Fe4 1 0.33333300 0.66666700 0.00655305 1.0 Co Co5 1 0.66666700 0.33333300 0.99143668 1.0 Co Co6 1 0.33333300 0.66666700 0.49688359 1.0 Co Co7 1 0.66666700 0.33333300 0.50291502 1.0 I I8 1 0.33333300 0.66666700 0.74959537 1.0 I I9 1 0.66666700 0.33333300 0.25041574 1.0