# generated using pymatgen data_Zr10Cd3In5Ir4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33806030 _cell_length_b 7.69077407 _cell_length_c 17.67876349 _cell_angle_alpha 89.89527917 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr10Cd3In5Ir4 _chemical_formula_sum 'Zr10 Cd3 In5 Ir4' _cell_volume 453.85318841 _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 Zr Zr0 1 0.00000000 0.13143151 0.91881962 1.0 Zr Zr1 1 0.00000000 0.75851124 0.77910574 1.0 Zr Zr2 1 0.00000000 0.63946576 0.57986494 1.0 Zr Zr3 1 0.00000000 0.26403648 0.72412365 1.0 Zr Zr4 1 0.00000000 0.36068361 0.42037069 1.0 Zr Zr5 1 0.00000000 0.24474753 0.22161967 1.0 Zr Zr6 1 0.00000000 0.00028063 0.49977856 1.0 Zr Zr7 1 0.00000000 0.73744182 0.27596517 1.0 Zr Zr8 1 0.00000000 0.50007593 0.00011936 1.0 Zr Zr9 1 0.00000000 0.86355140 0.08117143 1.0 Cd Cd10 1 0.50000000 0.79394133 0.93159510 1.0 Cd Cd11 1 0.50000000 0.55804886 0.14808916 1.0 Cd Cd12 1 0.50000000 0.44323989 0.85229205 1.0 In In13 1 0.50000000 0.05910764 0.35060425 1.0 In In14 1 0.50000000 0.30054311 0.56790259 1.0 In In15 1 0.50000000 0.94228532 0.64900497 1.0 In In16 1 0.50000000 0.69984327 0.43228508 1.0 In In17 1 0.50000000 0.20162708 0.06725820 1.0 Ir Ir18 1 0.50000000 0.55085889 0.69297080 1.0 Ir Ir19 1 0.50000000 0.44982844 0.30748608 1.0 Ir Ir20 1 0.50000000 0.04905200 0.80691207 1.0 Ir Ir21 1 0.50000000 0.95139926 0.19265983 1.0