# generated using pymatgen data_Sm3ZrSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43654775 _cell_length_b 9.43654775 _cell_length_c 6.33706800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999823 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3ZrSb5 _chemical_formula_sum 'Sm6 Zr2 Sb10' _cell_volume 488.70332088 _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 0.61766600 0.00000000 0.25000000 1.0 Sm Sm1 1 0.38233400 0.00000000 0.75000000 1.0 Sm Sm2 1 0.00000000 0.61766600 0.25000000 1.0 Sm Sm3 1 0.00000000 0.38233400 0.75000000 1.0 Sm Sm4 1 0.38233400 0.38233400 0.25000000 1.0 Sm Sm5 1 0.61766600 0.61766600 0.75000000 1.0 Zr Zr6 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr7 1 0.00000000 0.00000000 0.50000000 1.0 Sb Sb8 1 0.26646900 0.00000000 0.25000000 1.0 Sb Sb9 1 0.73353100 0.00000000 0.75000000 1.0 Sb Sb10 1 0.00000000 0.26646900 0.25000000 1.0 Sb Sb11 1 0.00000000 0.73353100 0.75000000 1.0 Sb Sb12 1 0.73353100 0.73353100 0.25000000 1.0 Sb Sb13 1 0.26646900 0.26646900 0.75000000 1.0 Sb Sb14 1 0.33333300 0.66666700 0.00000000 1.0 Sb Sb15 1 0.66666700 0.33333300 0.00000000 1.0 Sb Sb16 1 0.66666700 0.33333300 0.50000000 1.0 Sb Sb17 1 0.33333300 0.66666700 0.50000000 1.0