# generated using pymatgen data_Pr3SiCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.20954692 _cell_length_b 10.20954632 _cell_length_c 10.20954675 _cell_angle_alpha 109.47122148 _cell_angle_beta 109.47122029 _cell_angle_gamma 109.47122218 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3SiCl3 _chemical_formula_sum 'Pr12 Si4 Cl12' _cell_volume 819.21420393 _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 0.48774079 0.49387039 0.24387039 1.0 Pr Pr1 1 0.75000000 0.24387039 0.25612961 1.0 Pr Pr2 1 0.75000000 0.00612961 0.49387039 1.0 Pr Pr3 1 0.24387039 0.48774079 0.49387039 1.0 Pr Pr4 1 0.25612961 0.75000000 0.24387039 1.0 Pr Pr5 1 0.01225921 0.25612961 0.00612961 1.0 Pr Pr6 1 0.00612961 0.01225921 0.25612961 1.0 Pr Pr7 1 0.49387039 0.75000000 0.00612961 1.0 Pr Pr8 1 0.49387039 0.24387039 0.48774079 1.0 Pr Pr9 1 0.00612961 0.49387039 0.75000000 1.0 Pr Pr10 1 0.25612961 0.00612961 0.01225921 1.0 Pr Pr11 1 0.24387039 0.25612961 0.75000000 1.0 Si Si12 1 0.25000000 0.25000000 0.25000000 1.0 Si Si13 1 0.50000000 0.00000000 0.25000000 1.0 Si Si14 1 0.00000000 0.25000000 0.50000000 1.0 Si Si15 1 0.25000000 0.50000000 0.00000000 1.0 Cl Cl16 1 0.25000000 0.75170237 0.74829763 1.0 Cl Cl17 1 0.50340574 0.50170237 0.75170237 1.0 Cl Cl18 1 0.99659426 0.74829763 0.99829763 1.0 Cl Cl19 1 0.74829763 0.25000000 0.75170237 1.0 Cl Cl20 1 0.99829763 0.99659426 0.74829763 1.0 Cl Cl21 1 0.25000000 0.99829763 0.50170237 1.0 Cl Cl22 1 0.75170237 0.50340574 0.50170237 1.0 Cl Cl23 1 0.50170237 0.25000000 0.99829763 1.0 Cl Cl24 1 0.75170237 0.74829763 0.25000000 1.0 Cl Cl25 1 0.74829763 0.99829763 0.99659426 1.0 Cl Cl26 1 0.99829763 0.50170237 0.25000000 1.0 Cl Cl27 1 0.50170237 0.75170237 0.50340574 1.0