# generated using pymatgen data_Ba2LiCeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.24125923 _cell_length_b 3.67322497 _cell_length_c 11.99686566 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiCeO4 _chemical_formula_sum 'Ba8 Li4 Ce4 O16' _cell_volume 539.43785255 _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 Ba Ba0 1 0.63625722 0.49999900 0.07159835 1.0 Ba Ba1 1 0.09249302 0.00000000 0.12149032 1.0 Ba Ba2 1 0.59249302 0.00000000 0.37850968 1.0 Ba Ba3 1 0.13625822 0.49999900 0.42840165 1.0 Ba Ba4 1 0.86374178 0.00000000 0.57159835 1.0 Ba Ba5 1 0.40750598 0.49999900 0.62148932 1.0 Ba Ba6 1 0.90750598 0.49999900 0.87850968 1.0 Ba Ba7 1 0.36374078 0.00000000 0.92840065 1.0 Li Li8 1 0.84071124 0.00000000 0.08705760 1.0 Li Li9 1 0.34071124 0.00000000 0.41294240 1.0 Li Li10 1 0.65928876 0.49999900 0.58705660 1.0 Li Li11 1 0.15928776 0.49999900 0.91294240 1.0 Ce Ce12 1 0.35580806 0.49999900 0.20943983 1.0 Ce Ce13 1 0.85580906 0.49999900 0.29055917 1.0 Ce Ce14 1 0.14419094 0.00000000 0.70944083 1.0 Ce Ce15 1 0.64419094 0.00000000 0.79055817 1.0 O O16 1 0.24465377 0.49999900 0.05042085 1.0 O O17 1 0.92294734 0.49999900 0.10634929 1.0 O O18 1 0.46716229 0.00000000 0.14122203 1.0 O O19 1 0.74611905 0.00000000 0.21608855 1.0 O O20 1 0.24611905 0.00000000 0.28391045 1.0 O O21 1 0.96716229 0.00000000 0.35877697 1.0 O O22 1 0.42294634 0.49999900 0.39364971 1.0 O O23 1 0.74465377 0.49999900 0.44957815 1.0 O O24 1 0.25534523 0.00000000 0.55042085 1.0 O O25 1 0.57705266 0.00000000 0.60635029 1.0 O O26 1 0.03283671 0.49999900 0.64122203 1.0 O O27 1 0.75387995 0.49999900 0.71608955 1.0 O O28 1 0.25388095 0.49999900 0.78391045 1.0 O O29 1 0.53283571 0.49999900 0.85877697 1.0 O O30 1 0.07705266 0.00000000 0.89364971 1.0 O O31 1 0.75534523 0.00000000 0.94957815 1.0