# generated using pymatgen data_PrSiAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.02315600 _cell_length_b 26.68343500 _cell_length_c 5.95277600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrSiAs3 _chemical_formula_sum 'Pr8 Si8 As24' _cell_volume 956.72117968 _cell_formula_units_Z 8 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 0.52063500 0.40961800 0.75523600 1.0 Pr Pr1 1 0.47936500 0.59038200 0.25523600 1.0 Pr Pr2 1 0.97936500 0.90961800 0.25523600 1.0 Pr Pr3 1 0.02063500 0.09038200 0.75523600 1.0 Pr Pr4 1 0.02199800 0.40511800 0.25463700 1.0 Pr Pr5 1 0.97800200 0.59488200 0.75463700 1.0 Pr Pr6 1 0.47800200 0.90511800 0.75463700 1.0 Pr Pr7 1 0.52199800 0.09488200 0.25463700 1.0 Si Si8 1 0.44395100 0.29448900 0.33313500 1.0 Si Si9 1 0.55604900 0.70551100 0.83313500 1.0 Si Si10 1 0.05604900 0.79448900 0.83313500 1.0 Si Si11 1 0.94395100 0.20551100 0.33313500 1.0 Si Si12 1 0.11493300 0.29193600 0.83243600 1.0 Si Si13 1 0.88506700 0.70806400 0.33243600 1.0 Si Si14 1 0.38506700 0.79193600 0.33243600 1.0 Si Si15 1 0.61493300 0.20806400 0.83243600 1.0 As As16 1 0.01557900 0.37486900 0.75163000 1.0 As As17 1 0.98442100 0.62513100 0.25163000 1.0 As As18 1 0.48442100 0.87486900 0.25163000 1.0 As As19 1 0.51557900 0.12513100 0.75163000 1.0 As As20 1 0.52671400 0.37806900 0.25169400 1.0 As As21 1 0.47328600 0.62193100 0.75169400 1.0 As As22 1 0.97328600 0.87806900 0.75169400 1.0 As As23 1 0.02671400 0.12193100 0.25169400 1.0 As As24 1 0.79083200 0.49817300 0.47873600 1.0 As As25 1 0.20916800 0.50182700 0.97873600 1.0 As As26 1 0.70916800 0.99817300 0.97873600 1.0 As As27 1 0.29083200 0.00182700 0.47873600 1.0 As As28 1 0.21289300 0.50150200 0.54333900 1.0 As As29 1 0.78710700 0.49849800 0.04333900 1.0 As As30 1 0.28710700 0.00150200 0.04333900 1.0 As As31 1 0.71289300 0.99849800 0.54333900 1.0 As As32 1 0.06771100 0.28740600 0.22933700 1.0 As As33 1 0.93228900 0.71259400 0.72933700 1.0 As As34 1 0.43228900 0.78740600 0.72933700 1.0 As As35 1 0.56771100 0.21259400 0.22933700 1.0 As As36 1 0.49254700 0.29069300 0.72982000 1.0 As As37 1 0.50745300 0.70930700 0.22982000 1.0 As As38 1 0.00745300 0.79069300 0.22982000 1.0 As As39 1 0.99254700 0.20930700 0.72982000 1.0