# generated using pymatgen data_SmMn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02288886 _cell_length_b 6.02288886 _cell_length_c 4.62889800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000940 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmMn3 _chemical_formula_sum 'Sm2 Mn6' _cell_volume 145.41791029 _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 0.66666700 0.33333300 0.25000000 1.0 Sm Sm1 1 0.33333300 0.66666700 0.75000000 1.0 Mn Mn2 1 0.85346500 0.14653500 0.75000000 1.0 Mn Mn3 1 0.29307000 0.14653500 0.75000000 1.0 Mn Mn4 1 0.85346500 0.70693000 0.75000000 1.0 Mn Mn5 1 0.14653500 0.85346500 0.25000000 1.0 Mn Mn6 1 0.70693000 0.85346500 0.25000000 1.0 Mn Mn7 1 0.14653500 0.29307000 0.25000000 1.0