# generated using pymatgen data_CaCe2(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97479881 _cell_length_b 6.97479851 _cell_length_c 6.36257163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.68434269 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCe2(PO4)3 _chemical_formula_sum 'Ca1 Ce2 P3 O12' _cell_volume 268.90525512 _cell_formula_units_Z 1 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 Ca Ca0 1 0.50000000 0.50000000 0.16666700 1.0 Ce Ce1 1 0.50000000 0.00000000 0.49379221 1.0 Ce Ce2 1 0.00000000 0.50000000 0.83954079 1.0 P P3 1 0.00000000 0.50000000 0.33041223 1.0 P P4 1 0.50000000 0.00000000 0.00292077 1.0 P P5 1 0.50000000 0.50000000 0.66666700 1.0 O O6 1 0.13752851 0.69266121 0.48252536 1.0 O O7 1 0.44517716 0.30243116 0.52361210 1.0 O O8 1 0.30733879 0.86247149 0.85080864 1.0 O O9 1 0.30243116 0.44517716 0.80972090 1.0 O O10 1 0.44438689 0.13790114 0.15016471 1.0 O O11 1 0.55482284 0.69756884 0.52361210 1.0 O O12 1 0.86209886 0.55561311 0.18316829 1.0 O O13 1 0.86247149 0.30733879 0.48252536 1.0 O O14 1 0.55561311 0.86209886 0.15016471 1.0 O O15 1 0.69756884 0.55482284 0.80972090 1.0 O O16 1 0.69266121 0.13752851 0.85080864 1.0 O O17 1 0.13790114 0.44438689 0.18316829 1.0