# generated using pymatgen data_Ce3SiCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.21576896 _cell_length_b 10.21576860 _cell_length_c 10.21576857 _cell_angle_alpha 109.47122463 _cell_angle_beta 109.47122392 _cell_angle_gamma 109.47121806 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3SiCl3 _chemical_formula_sum 'Ce12 Si4 Cl12' _cell_volume 820.71286142 _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 Ce Ce0 1 0.48980547 0.49490224 0.24490224 1.0 Ce Ce1 1 0.75000000 0.24490224 0.25509776 1.0 Ce Ce2 1 0.75000000 0.00509776 0.49490224 1.0 Ce Ce3 1 0.24490224 0.48980547 0.49490224 1.0 Ce Ce4 1 0.25509776 0.75000000 0.24490224 1.0 Ce Ce5 1 0.01019453 0.25509776 0.00509776 1.0 Ce Ce6 1 0.00509776 0.01019453 0.25509776 1.0 Ce Ce7 1 0.49490224 0.75000000 0.00509776 1.0 Ce Ce8 1 0.49490224 0.24490224 0.48980547 1.0 Ce Ce9 1 0.00509776 0.49490224 0.75000000 1.0 Ce Ce10 1 0.25509776 0.00509776 0.01019453 1.0 Ce Ce11 1 0.24490224 0.25509776 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 0.75182883 0.74817117 1.0 Cl Cl17 1 0.50365765 0.50182883 0.75182883 1.0 Cl Cl18 1 0.99634235 0.74817117 0.99817117 1.0 Cl Cl19 1 0.74817117 0.25000000 0.75182883 1.0 Cl Cl20 1 0.99817117 0.99634235 0.74817117 1.0 Cl Cl21 1 0.25000000 0.99817117 0.50182883 1.0 Cl Cl22 1 0.75182883 0.50365765 0.50182883 1.0 Cl Cl23 1 0.50182883 0.25000000 0.99817117 1.0 Cl Cl24 1 0.75182883 0.74817117 0.25000000 1.0 Cl Cl25 1 0.74817117 0.99817117 0.99634235 1.0 Cl Cl26 1 0.99817117 0.50182883 0.25000000 1.0 Cl Cl27 1 0.50182883 0.75182883 0.50365765 1.0