# generated using pymatgen data_Pr4In5Sn11Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50377289 _cell_length_b 7.19612039 _cell_length_c 18.66014135 _cell_angle_alpha 90.07552961 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4In5Sn11Ir8 _chemical_formula_sum 'Pr4 In5 Sn11 Ir8' _cell_volume 604.76890711 _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 Pr Pr0 1 0.25000000 0.99635083 0.85969109 1.0 Pr Pr1 1 0.25000000 0.50325356 0.35773838 1.0 Pr Pr2 1 0.75000000 0.00605903 0.14233062 1.0 Pr Pr3 1 0.75000000 0.49621024 0.64106496 1.0 In In4 1 0.25000000 0.31317600 0.17876706 1.0 In In5 1 0.25000000 0.18894596 0.67916439 1.0 In In6 1 0.75000000 0.68941530 0.82070173 1.0 In In7 1 0.75000000 0.80863192 0.31822064 1.0 In In8 1 0.25000000 0.72751074 0.19699451 1.0 Sn Sn9 1 0.25000000 0.77085868 0.69903302 1.0 Sn Sn10 1 0.75000000 0.27027614 0.80121016 1.0 Sn Sn11 1 0.75000000 0.22559621 0.30309807 1.0 Sn Sn12 1 0.25000000 0.86556311 0.03549657 1.0 Sn Sn13 1 0.25000000 0.63476943 0.53344155 1.0 Sn Sn14 1 0.75000000 0.13615800 0.96703437 1.0 Sn Sn15 1 0.75000000 0.36504102 0.46602484 1.0 Sn Sn16 1 0.25000000 0.52377647 0.92918670 1.0 Sn Sn17 1 0.25000000 0.97696338 0.42838482 1.0 Sn Sn18 1 0.75000000 0.48151679 0.07223858 1.0 Sn Sn19 1 0.75000000 0.02228777 0.57055051 1.0 Ir Ir20 1 0.25000000 0.25501975 0.03133376 1.0 Ir Ir21 1 0.25000000 0.24696439 0.53178333 1.0 Ir Ir22 1 0.75000000 0.74874763 0.96796892 1.0 Ir Ir23 1 0.75000000 0.75251361 0.46752362 1.0 Ir Ir24 1 0.25000000 0.03292076 0.28443612 1.0 Ir Ir25 1 0.25000000 0.47053474 0.78433870 1.0 Ir Ir26 1 0.75000000 0.97022492 0.71533427 1.0 Ir Ir27 1 0.75000000 0.52071464 0.21691070 1.0