# generated using pymatgen data_SmErZn14Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75840370 _cell_length_b 8.75840481 _cell_length_c 8.63171047 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001013 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmErZn14Cu3 _chemical_formula_sum 'Sm2 Er2 Zn28 Cu6' _cell_volume 573.42605897 _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 0.00000000 0.00000000 0.25000000 1.0 Sm Sm1 1 0.00000000 0.00000000 0.75000000 1.0 Er Er2 1 0.33333300 0.66666700 0.75000000 1.0 Er Er3 1 0.66666700 0.33333300 0.25000000 1.0 Zn Zn4 1 0.33333300 0.66666700 0.40233997 1.0 Zn Zn5 1 0.66666700 0.33333300 0.59766003 1.0 Zn Zn6 1 0.66666700 0.33333300 0.90233997 1.0 Zn Zn7 1 0.33333300 0.66666700 0.09766003 1.0 Zn Zn8 1 0.33450057 0.37238332 0.25000000 1.0 Zn Zn9 1 0.62761668 0.96211825 0.25000000 1.0 Zn Zn10 1 0.03788175 0.66549943 0.25000000 1.0 Zn Zn11 1 0.62761668 0.66549943 0.25000000 1.0 Zn Zn12 1 0.03788175 0.37238332 0.25000000 1.0 Zn Zn13 1 0.33450057 0.96211825 0.25000000 1.0 Zn Zn14 1 0.66549943 0.62761668 0.75000000 1.0 Zn Zn15 1 0.37238332 0.03788175 0.75000000 1.0 Zn Zn16 1 0.96211825 0.33450057 0.75000000 1.0 Zn Zn17 1 0.37238332 0.33450057 0.75000000 1.0 Zn Zn18 1 0.96211825 0.62761668 0.75000000 1.0 Zn Zn19 1 0.66549943 0.03788175 0.75000000 1.0 Zn Zn20 1 0.16656873 0.83343127 0.51937804 1.0 Zn Zn21 1 0.16656873 0.33313846 0.51937804 1.0 Zn Zn22 1 0.66686154 0.83343127 0.51937804 1.0 Zn Zn23 1 0.83343127 0.16656873 0.48062196 1.0 Zn Zn24 1 0.83343127 0.66686154 0.48062196 1.0 Zn Zn25 1 0.33313846 0.16656873 0.48062196 1.0 Zn Zn26 1 0.83343127 0.16656873 0.01937804 1.0 Zn Zn27 1 0.83343127 0.66686154 0.01937804 1.0 Zn Zn28 1 0.33313846 0.16656873 0.01937804 1.0 Zn Zn29 1 0.16656873 0.83343127 0.98062196 1.0 Zn Zn30 1 0.16656873 0.33313846 0.98062196 1.0 Zn Zn31 1 0.66686154 0.83343127 0.98062196 1.0 Cu Cu32 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu33 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu34 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu35 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu36 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu37 1 0.00000000 0.50000000 0.00000000 1.0