# generated using pymatgen data_Pr3Si2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79700058 _cell_length_b 7.78328157 _cell_length_c 14.93913757 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Si2Ir3 _chemical_formula_sum 'Pr12 Si8 Ir12' _cell_volume 674.04922311 _cell_formula_units_Z 4 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 0.13768269 0.47436133 0.89114504 1.0 Pr Pr1 1 0.36231731 0.97436133 0.89114504 1.0 Pr Pr2 1 0.59885260 0.33130107 0.75000000 1.0 Pr Pr3 1 0.40114740 0.66869893 0.25000000 1.0 Pr Pr4 1 0.63768269 0.02563867 0.39114504 1.0 Pr Pr5 1 0.86231731 0.52563867 0.10885496 1.0 Pr Pr6 1 0.86231731 0.52563867 0.39114504 1.0 Pr Pr7 1 0.36231731 0.97436133 0.60885496 1.0 Pr Pr8 1 0.90114740 0.83130107 0.75000000 1.0 Pr Pr9 1 0.13768269 0.47436133 0.60885496 1.0 Pr Pr10 1 0.63768269 0.02563867 0.10885496 1.0 Pr Pr11 1 0.09885260 0.16869893 0.25000000 1.0 Si Si12 1 0.37167121 0.37059948 0.09691031 1.0 Si Si13 1 0.62832879 0.62940052 0.90308969 1.0 Si Si14 1 0.87167121 0.12940052 0.90308969 1.0 Si Si15 1 0.37167121 0.37059948 0.40308969 1.0 Si Si16 1 0.87167121 0.12940052 0.59691031 1.0 Si Si17 1 0.62832879 0.62940052 0.59691031 1.0 Si Si18 1 0.12832879 0.87059948 0.40308969 1.0 Si Si19 1 0.12832879 0.87059948 0.09691031 1.0 Ir Ir20 1 0.60508560 0.33936380 0.96020357 1.0 Ir Ir21 1 0.39491440 0.66063620 0.03979643 1.0 Ir Ir22 1 0.56270555 0.32036380 0.25000000 1.0 Ir Ir23 1 0.39491440 0.66063620 0.46020357 1.0 Ir Ir24 1 0.06270555 0.17963620 0.75000000 1.0 Ir Ir25 1 0.10508560 0.16063620 0.46020357 1.0 Ir Ir26 1 0.43729445 0.67963620 0.75000000 1.0 Ir Ir27 1 0.93729445 0.82036380 0.25000000 1.0 Ir Ir28 1 0.10508560 0.16063620 0.03979643 1.0 Ir Ir29 1 0.60508560 0.33936380 0.53979643 1.0 Ir Ir30 1 0.89491440 0.83936380 0.53979643 1.0 Ir Ir31 1 0.89491440 0.83936380 0.96020357 1.0