# generated using pymatgen data_Ce3PCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.06808909 _cell_length_b 10.06808953 _cell_length_c 10.06808870 _cell_angle_alpha 109.47121897 _cell_angle_beta 109.47121987 _cell_angle_gamma 109.47122051 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3PCl3 _chemical_formula_sum 'Ce12 P4 Cl12' _cell_volume 785.63219928 _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 0.48505776 0.49252888 0.24252888 1.0 Ce Ce1 1 0.75000000 0.24252888 0.25747112 1.0 Ce Ce2 1 0.75000000 0.00747112 0.49252888 1.0 Ce Ce3 1 0.24252888 0.48505776 0.49252888 1.0 Ce Ce4 1 0.25747112 0.75000000 0.24252888 1.0 Ce Ce5 1 0.01494224 0.25747112 0.00747112 1.0 Ce Ce6 1 0.00747112 0.01494224 0.25747112 1.0 Ce Ce7 1 0.49252888 0.75000000 0.00747112 1.0 Ce Ce8 1 0.49252888 0.24252888 0.48505776 1.0 Ce Ce9 1 0.00747112 0.49252888 0.75000000 1.0 Ce Ce10 1 0.25747112 0.00747112 0.01494224 1.0 Ce Ce11 1 0.24252888 0.25747112 0.75000000 1.0 P P12 1 0.25000000 0.25000000 0.25000000 1.0 P P13 1 0.50000000 0.00000000 0.25000000 1.0 P P14 1 0.00000000 0.25000000 0.50000000 1.0 P P15 1 0.25000000 0.50000000 0.00000000 1.0 Cl Cl16 1 0.25000000 0.75392669 0.74607331 1.0 Cl Cl17 1 0.50785238 0.50392669 0.75392669 1.0 Cl Cl18 1 0.99214762 0.74607331 0.99607331 1.0 Cl Cl19 1 0.74607331 0.25000000 0.75392669 1.0 Cl Cl20 1 0.99607331 0.99214762 0.74607331 1.0 Cl Cl21 1 0.25000000 0.99607331 0.50392669 1.0 Cl Cl22 1 0.75392669 0.50785238 0.50392669 1.0 Cl Cl23 1 0.50392669 0.25000000 0.99607331 1.0 Cl Cl24 1 0.75392669 0.74607331 0.25000000 1.0 Cl Cl25 1 0.74607331 0.99607331 0.99214762 1.0 Cl Cl26 1 0.99607331 0.50392669 0.25000000 1.0 Cl Cl27 1 0.50392669 0.75392669 0.50785238 1.0