# generated using pymatgen data_Ca2Ce3Bi3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.36087141 _cell_length_b 9.36087134 _cell_length_c 6.84954686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999666 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Ce3Bi3C _chemical_formula_sum 'Ca4 Ce6 Bi6 C2' _cell_volume 519.78655663 _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 Ca Ca0 1 0.66666700 0.33333300 0.00000000 1.0 Ca Ca1 1 0.33333300 0.66666700 0.00000000 1.0 Ca Ca2 1 0.33333300 0.66666700 0.50000000 1.0 Ca Ca3 1 0.66666700 0.33333300 0.50000000 1.0 Ce Ce4 1 0.78530908 0.78530908 0.75000000 1.0 Ce Ce5 1 0.21469092 0.00000000 0.75000000 1.0 Ce Ce6 1 0.00000000 0.21469092 0.75000000 1.0 Ce Ce7 1 0.21469092 0.21469092 0.25000000 1.0 Ce Ce8 1 0.78530908 1.00000000 0.25000000 1.0 Ce Ce9 1 1.00000000 0.78530908 0.25000000 1.0 Bi Bi10 1 0.40416033 0.40416033 0.75000000 1.0 Bi Bi11 1 0.59583967 0.00000000 0.75000000 1.0 Bi Bi12 1 0.00000000 0.59583967 0.75000000 1.0 Bi Bi13 1 0.59583967 0.59583967 0.25000000 1.0 Bi Bi14 1 0.40416033 1.00000000 0.25000000 1.0 Bi Bi15 1 1.00000000 0.40416033 0.25000000 1.0 C C16 1 0.00000000 0.00000000 0.00000000 1.0 C C17 1 0.00000000 0.00000000 0.50000000 1.0