# generated using pymatgen data_Ce3ZrBi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74943255 _cell_length_b 9.74943136 _cell_length_c 6.57196279 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000058 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3ZrBi5 _chemical_formula_sum 'Ce6 Zr2 Bi10' _cell_volume 540.98391225 _cell_formula_units_Z 2 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 0.61694276 1.00000000 0.25000000 1.0 Ce Ce1 1 0.38305724 0.00000000 0.75000000 1.0 Ce Ce2 1 0.00000000 0.61694276 0.25000000 1.0 Ce Ce3 1 1.00000000 0.38305724 0.75000000 1.0 Ce Ce4 1 0.38305724 0.38305724 0.25000000 1.0 Ce Ce5 1 0.61694276 0.61694276 0.75000000 1.0 Zr Zr6 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr7 1 0.00000000 0.00000000 0.50000000 1.0 Bi Bi8 1 0.26199008 0.00000000 0.25000000 1.0 Bi Bi9 1 0.73800992 1.00000000 0.75000000 1.0 Bi Bi10 1 1.00000000 0.26199008 0.25000000 1.0 Bi Bi11 1 0.00000000 0.73800992 0.75000000 1.0 Bi Bi12 1 0.73800992 0.73800992 0.25000000 1.0 Bi Bi13 1 0.26199008 0.26199008 0.75000000 1.0 Bi Bi14 1 0.33333300 0.66666700 0.00000000 1.0 Bi Bi15 1 0.66666700 0.33333300 0.00000000 1.0 Bi Bi16 1 0.66666700 0.33333300 0.50000000 1.0 Bi Bi17 1 0.33333300 0.66666700 0.50000000 1.0