# generated using pymatgen data_CeSiAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99083700 _cell_length_b 25.81413300 _cell_length_c 5.90847800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeSiAs3 _chemical_formula_sum 'Ce8 Si8 As24' _cell_volume 913.73586026 _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 Ce Ce0 1 0.51304400 0.41523600 0.75288500 1.0 Ce Ce1 1 0.48695600 0.58476400 0.25288500 1.0 Ce Ce2 1 0.98695600 0.91523600 0.25288500 1.0 Ce Ce3 1 0.01304400 0.08476400 0.75288500 1.0 Ce Ce4 1 0.01696000 0.41008600 0.25289900 1.0 Ce Ce5 1 0.98304000 0.58991400 0.75289900 1.0 Ce Ce6 1 0.48304000 0.91008600 0.75289900 1.0 Ce Ce7 1 0.51696000 0.08991400 0.25289900 1.0 Si Si8 1 0.44211900 0.29592700 0.33670000 1.0 Si Si9 1 0.55788100 0.70407300 0.83670000 1.0 Si Si10 1 0.05788100 0.79592700 0.83670000 1.0 Si Si11 1 0.94211900 0.20407300 0.33670000 1.0 Si Si12 1 0.11369000 0.29360800 0.83395600 1.0 Si Si13 1 0.88631000 0.70639200 0.33395600 1.0 Si Si14 1 0.38631000 0.79360800 0.33395600 1.0 Si Si15 1 0.61369000 0.20639200 0.83395600 1.0 As As16 1 0.01062400 0.37964600 0.74894700 1.0 As As17 1 0.98937600 0.62035400 0.24894700 1.0 As As18 1 0.48937600 0.87964600 0.24894700 1.0 As As19 1 0.51062400 0.12035400 0.74894700 1.0 As As20 1 0.52517700 0.38283800 0.24859800 1.0 As As21 1 0.47482300 0.61716200 0.74859800 1.0 As As22 1 0.97482300 0.88283800 0.74859800 1.0 As As23 1 0.02517700 0.11716200 0.24859800 1.0 As As24 1 0.77257500 0.49944900 0.49947700 1.0 As As25 1 0.22742500 0.50055100 0.99947700 1.0 As As26 1 0.72742500 0.99944900 0.99947700 1.0 As As27 1 0.27257500 0.00055100 0.49947700 1.0 As As28 1 0.22905400 0.50050200 0.51542400 1.0 As As29 1 0.77094600 0.49949800 0.01542400 1.0 As As30 1 0.27094600 0.00050200 0.01542400 1.0 As As31 1 0.72905400 0.99949800 0.51542400 1.0 As As32 1 0.06305700 0.28918600 0.23468900 1.0 As As33 1 0.93694300 0.71081400 0.73468900 1.0 As As34 1 0.43694300 0.78918600 0.73468900 1.0 As As35 1 0.56305700 0.21081400 0.23468900 1.0 As As36 1 0.49551700 0.29254000 0.73642400 1.0 As As37 1 0.50448300 0.70746000 0.23642400 1.0 As As38 1 0.00448300 0.79254000 0.23642400 1.0 As As39 1 0.99551700 0.20746000 0.73642400 1.0