# generated using pymatgen data_Ce3Sn13Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81084100 _cell_length_b 9.81084100 _cell_length_c 9.81084100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3Sn13Ir4 _chemical_formula_sum 'Ce6 Sn26 Ir8' _cell_volume 944.31896550 _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 Ce Ce0 1 0.50000000 0.00000000 0.75000000 1.0 Ce Ce1 1 0.00000000 0.25000000 0.50000000 1.0 Ce Ce2 1 0.75000000 0.50000000 0.00000000 1.0 Ce Ce3 1 0.50000000 0.00000000 0.25000000 1.0 Ce Ce4 1 0.00000000 0.75000000 0.50000000 1.0 Ce Ce5 1 0.25000000 0.50000000 0.00000000 1.0 Sn Sn6 1 0.50000000 0.50000000 0.50000000 1.0 Sn Sn7 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn8 1 0.65293100 0.19276300 0.50000000 1.0 Sn Sn9 1 0.80723700 0.50000000 0.65293100 1.0 Sn Sn10 1 0.50000000 0.34706900 0.80723700 1.0 Sn Sn11 1 0.34706900 0.80723700 0.50000000 1.0 Sn Sn12 1 0.19276300 0.50000000 0.34706900 1.0 Sn Sn13 1 0.50000000 0.65293100 0.19276300 1.0 Sn Sn14 1 0.65293100 0.80723700 0.50000000 1.0 Sn Sn15 1 0.80723700 0.50000000 0.34706900 1.0 Sn Sn16 1 0.34706900 0.19276300 0.50000000 1.0 Sn Sn17 1 0.19276300 0.50000000 0.65293100 1.0 Sn Sn18 1 0.50000000 0.65293100 0.80723700 1.0 Sn Sn19 1 0.50000000 0.34706900 0.19276300 1.0 Sn Sn20 1 0.15293100 0.00000000 0.69276300 1.0 Sn Sn21 1 0.30723700 0.15293100 0.00000000 1.0 Sn Sn22 1 0.00000000 0.30723700 0.84706900 1.0 Sn Sn23 1 0.84706900 0.00000000 0.30723700 1.0 Sn Sn24 1 0.69276300 0.84706900 0.00000000 1.0 Sn Sn25 1 0.00000000 0.69276300 0.15293100 1.0 Sn Sn26 1 0.15293100 0.00000000 0.30723700 1.0 Sn Sn27 1 0.30723700 0.84706900 0.00000000 1.0 Sn Sn28 1 0.84706900 0.00000000 0.69276300 1.0 Sn Sn29 1 0.69276300 0.15293100 0.00000000 1.0 Sn Sn30 1 0.00000000 0.30723700 0.15293100 1.0 Sn Sn31 1 0.00000000 0.69276300 0.84706900 1.0 Ir Ir32 1 0.75000000 0.25000000 0.75000000 1.0 Ir Ir33 1 0.25000000 0.75000000 0.25000000 1.0 Ir Ir34 1 0.75000000 0.75000000 0.25000000 1.0 Ir Ir35 1 0.25000000 0.25000000 0.75000000 1.0 Ir Ir36 1 0.25000000 0.75000000 0.75000000 1.0 Ir Ir37 1 0.75000000 0.25000000 0.25000000 1.0 Ir Ir38 1 0.25000000 0.25000000 0.25000000 1.0 Ir Ir39 1 0.75000000 0.75000000 0.75000000 1.0