# generated using pymatgen data_Na6Bi2P(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.34045945 _cell_length_b 10.34045945 _cell_length_c 10.34045945 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na6Bi2P(CO4)4 _chemical_formula_sum 'Na12 Bi4 P2 C8 O32' _cell_volume 781.81592097 _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 Na Na0 1 0.05480100 0.44519900 0.44519900 1.0 Na Na1 1 0.05480100 0.05480100 0.44519900 1.0 Na Na2 1 0.44519900 0.05480100 0.44519900 1.0 Na Na3 1 0.05480100 0.44519900 0.05480100 1.0 Na Na4 1 0.80480100 0.19519900 0.19519900 1.0 Na Na5 1 0.80480100 0.80480100 0.19519900 1.0 Na Na6 1 0.44519900 0.44519900 0.05480100 1.0 Na Na7 1 0.44519900 0.05480100 0.05480100 1.0 Na Na8 1 0.80480100 0.19519900 0.80480100 1.0 Na Na9 1 0.19519900 0.80480100 0.19519900 1.0 Na Na10 1 0.19519900 0.80480100 0.80480100 1.0 Na Na11 1 0.19519900 0.19519900 0.80480100 1.0 Bi Bi12 1 0.12500000 0.62500000 0.62500000 1.0 Bi Bi13 1 0.62500000 0.62500000 0.62500000 1.0 Bi Bi14 1 0.62500000 0.12500000 0.62500000 1.0 Bi Bi15 1 0.62500000 0.62500000 0.12500000 1.0 P P16 1 0.00000000 0.00000000 0.00000000 1.0 P P17 1 0.25000000 0.25000000 0.25000000 1.0 C C18 1 0.85236700 0.85236700 0.44289800 1.0 C C19 1 0.85236700 0.85236700 0.85236700 1.0 C C20 1 0.85236700 0.44289800 0.85236700 1.0 C C21 1 0.44289800 0.85236700 0.85236700 1.0 C C22 1 0.80710200 0.39763300 0.39763300 1.0 C C23 1 0.39763300 0.39763300 0.39763300 1.0 C C24 1 0.39763300 0.80710200 0.39763300 1.0 C C25 1 0.39763300 0.39763300 0.80710200 1.0 O O26 1 0.06163800 0.06163800 0.81508500 1.0 O O27 1 0.06163800 0.06163800 0.06163800 1.0 O O28 1 0.06163800 0.81508500 0.06163800 1.0 O O29 1 0.81508500 0.06163800 0.06163800 1.0 O O30 1 0.98132300 0.72918900 0.44413600 1.0 O O31 1 0.84535100 0.98132300 0.44413600 1.0 O O32 1 0.98132300 0.84535100 0.72918900 1.0 O O33 1 0.72918900 0.84535100 0.44413600 1.0 O O34 1 0.98132300 0.44413600 0.84535100 1.0 O O35 1 0.84535100 0.44413600 0.72918900 1.0 O O36 1 0.72918900 0.98132300 0.84535100 1.0 O O37 1 0.84535100 0.72918900 0.98132300 1.0 O O38 1 0.44413600 0.98132300 0.72918900 1.0 O O39 1 0.72918900 0.44413600 0.98132300 1.0 O O40 1 0.44413600 0.72918900 0.84535100 1.0 O O41 1 0.80586400 0.40464900 0.26867700 1.0 O O42 1 0.44413600 0.84535100 0.98132300 1.0 O O43 1 0.80586400 0.52081100 0.40464900 1.0 O O44 1 0.52081100 0.80586400 0.26867700 1.0 O O45 1 0.80586400 0.26867700 0.52081100 1.0 O O46 1 0.40464900 0.52081100 0.26867700 1.0 O O47 1 0.52081100 0.26867700 0.40464900 1.0 O O48 1 0.40464900 0.80586400 0.52081100 1.0 O O49 1 0.26867700 0.80586400 0.40464900 1.0 O O50 1 0.52081100 0.40464900 0.80586400 1.0 O O51 1 0.26867700 0.40464900 0.52081100 1.0 O O52 1 0.40464900 0.26867700 0.80586400 1.0 O O53 1 0.26867700 0.52081100 0.80586400 1.0 O O54 1 0.43491500 0.18836200 0.18836200 1.0 O O55 1 0.18836200 0.43491500 0.18836200 1.0 O O56 1 0.18836200 0.18836200 0.18836200 1.0 O O57 1 0.18836200 0.18836200 0.43491500 1.0