# generated using pymatgen data_Na5Bi2P(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.46516854 _cell_length_b 10.43337802 _cell_length_c 10.34180476 _cell_angle_alpha 60.49280459 _cell_angle_beta 60.18670568 _cell_angle_gamma 59.32048972 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na5Bi2P(CO4)4 _chemical_formula_sum 'Na10 Bi4 P2 C8 O32' _cell_volume 798.27984428 _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 0.55614500 0.94385500 0.55614500 1.0 Na Na1 1 0.69123200 0.30876800 0.30876800 1.0 Na Na2 1 0.30961700 0.69038300 0.30961700 1.0 Na Na3 1 0.94258300 0.94258300 0.55741700 1.0 Na Na4 1 0.94449400 0.55550600 0.55550600 1.0 Na Na5 1 0.55741700 0.55741700 0.94258300 1.0 Na Na6 1 0.30876800 0.69123200 0.69123200 1.0 Na Na7 1 0.94385500 0.55614500 0.94385500 1.0 Na Na8 1 0.55550600 0.94449400 0.94449400 1.0 Na Na9 1 0.69038300 0.30961700 0.69038300 1.0 Bi Bi10 1 0.13010500 0.12827800 0.11776600 1.0 Bi Bi11 1 0.62385100 0.11776600 0.12827800 1.0 Bi Bi12 1 0.11776600 0.62385100 0.13010500 1.0 Bi Bi13 1 0.12827800 0.13010500 0.62385100 1.0 P P14 1 0.75000000 0.75000000 0.75000000 1.0 P P15 1 0.50000000 0.50000000 0.50000000 1.0 C C16 1 0.34399000 0.96298700 0.34500200 1.0 C C17 1 0.34500200 0.34802200 0.34399000 1.0 C C18 1 0.96298700 0.34399000 0.34802200 1.0 C C19 1 0.34802200 0.34500200 0.96298700 1.0 C C20 1 0.90591800 0.90721000 0.29334600 1.0 C C21 1 0.29334600 0.89352700 0.90591800 1.0 C C22 1 0.89352700 0.29334600 0.90721000 1.0 C C23 1 0.90721000 0.90591800 0.89352700 1.0 O O24 1 0.91782200 0.02627000 0.29209000 1.0 O O25 1 0.33887200 0.96057100 0.47468000 1.0 O O26 1 0.47468000 0.22587600 0.33887200 1.0 O O27 1 0.76381900 0.29209000 0.02627000 1.0 O O28 1 0.21958200 0.34191100 0.46622000 1.0 O O29 1 0.68890100 0.68934200 0.93345100 1.0 O O30 1 0.93345100 0.68830600 0.68890100 1.0 O O31 1 0.22443100 0.95823900 0.33983100 1.0 O O32 1 0.33983100 0.47749900 0.22443100 1.0 O O33 1 0.47749900 0.33983100 0.95823900 1.0 O O34 1 0.95823900 0.22443100 0.47749900 1.0 O O35 1 0.68830600 0.93345100 0.68934200 1.0 O O36 1 0.68934200 0.68890100 0.68830600 1.0 O O37 1 0.02509700 0.77494000 0.29528300 1.0 O O38 1 0.29528300 0.90468000 0.02509700 1.0 O O39 1 0.97228700 0.46622000 0.34191100 1.0 O O40 1 0.29209000 0.76381900 0.91782200 1.0 O O41 1 0.22587600 0.47468000 0.96057100 1.0 O O42 1 0.96057100 0.33887200 0.22587600 1.0 O O43 1 0.55787100 0.55831800 0.56812400 1.0 O O44 1 0.56812400 0.31568700 0.55787100 1.0 O O45 1 0.29527300 0.01013800 0.77558000 1.0 O O46 1 0.77558000 0.91900800 0.29527300 1.0 O O47 1 0.01013800 0.29527300 0.91900800 1.0 O O48 1 0.91900800 0.77558000 0.01013800 1.0 O O49 1 0.31568700 0.56812400 0.55831800 1.0 O O50 1 0.55831800 0.55787100 0.31568700 1.0 O O51 1 0.02627000 0.91782200 0.76381900 1.0 O O52 1 0.46622000 0.97228700 0.21958200 1.0 O O53 1 0.77494000 0.02509700 0.90468000 1.0 O O54 1 0.90468000 0.29528300 0.77494000 1.0 O O55 1 0.34191100 0.21958200 0.97228700 1.0