# generated using pymatgen data_Bi(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84562562 _cell_length_b 7.84562562 _cell_length_c 17.59611800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.34515304 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi(PO3)4 _chemical_formula_sum 'Bi4 P16 O48' _cell_volume 1076.47371439 _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 Bi Bi0 1 0.96211400 0.60811600 0.14617000 1.0 Bi Bi1 1 0.60811600 0.96211400 0.85383000 1.0 Bi Bi2 1 0.39188400 0.03788600 0.35383000 1.0 Bi Bi3 1 0.03788600 0.39188400 0.64617000 1.0 P P4 1 0.68916000 0.21746500 0.51321600 1.0 P P5 1 0.73911600 0.03504100 0.65711300 1.0 P P6 1 0.78253500 0.31084000 0.98678400 1.0 P P7 1 0.70931000 0.67748400 0.69638600 1.0 P P8 1 0.03504100 0.73911600 0.34288700 1.0 P P9 1 0.21746500 0.68916000 0.48678400 1.0 P P10 1 0.26088400 0.96495900 0.15711300 1.0 P P11 1 0.31084000 0.78253500 0.01321600 1.0 P P12 1 0.29069000 0.32251600 0.19638600 1.0 P P13 1 0.35684600 0.64315400 0.75000000 1.0 P P14 1 0.96495900 0.26088400 0.84288700 1.0 P P15 1 0.35361500 0.35361500 0.50000000 1.0 P P16 1 0.64638500 0.64638500 0.00000000 1.0 P P17 1 0.67748400 0.70931000 0.30361400 1.0 P P18 1 0.64315400 0.35684600 0.25000000 1.0 P P19 1 0.32251600 0.29069000 0.80361400 1.0 O O20 1 0.92634100 0.10795400 0.65375900 1.0 O O21 1 0.93740700 0.36512300 0.77340300 1.0 O O22 1 0.89204600 0.07365900 0.84624100 1.0 O O23 1 0.89002400 0.34699300 0.05684700 1.0 O O24 1 0.07365900 0.89204600 0.15375900 1.0 O O25 1 0.06259300 0.63487700 0.27340300 1.0 O O26 1 0.10795400 0.92634100 0.34624100 1.0 O O27 1 0.10997600 0.65300700 0.55684700 1.0 O O28 1 0.10119400 0.63499600 0.41305600 1.0 O O29 1 0.13457400 0.68788600 0.02443200 1.0 O O30 1 0.18613000 0.61859400 0.70990900 1.0 O O31 1 0.16473400 0.26428200 0.86356500 1.0 O O32 1 0.21023400 0.46662800 0.15926800 1.0 O O33 1 0.25155900 0.26144500 0.27573700 1.0 O O34 1 0.31211400 0.86542600 0.47556800 1.0 O O35 1 0.24895600 0.30270300 0.56970400 1.0 O O36 1 0.26144500 0.25155900 0.72426300 1.0 O O37 1 0.86542600 0.31211400 0.52443200 1.0 O O38 1 0.26428200 0.16473400 0.13643500 1.0 O O39 1 0.36512300 0.93740700 0.22659700 1.0 O O40 1 0.36500400 0.89880600 0.08694400 1.0 O O41 1 0.30270300 0.24895600 0.43029600 1.0 O O42 1 0.35673800 0.55308900 0.48066200 1.0 O O43 1 0.38140600 0.81387000 0.79009100 1.0 O O44 1 0.37824300 0.49723400 0.81201200 1.0 O O45 1 0.44691100 0.64326200 0.01933800 1.0 O O46 1 0.50276600 0.62175700 0.68798800 1.0 O O47 1 0.53337200 0.78976600 0.34073200 1.0 O O48 1 0.46662800 0.21023400 0.84073200 1.0 O O49 1 0.49723400 0.37824300 0.18798800 1.0 O O50 1 0.55308900 0.35673800 0.51933800 1.0 O O51 1 0.62175700 0.50276600 0.31201200 1.0 O O52 1 0.61859400 0.18613000 0.29009100 1.0 O O53 1 0.64326200 0.44691100 0.98066200 1.0 O O54 1 0.69729700 0.75104400 0.93029600 1.0 O O55 1 0.63499600 0.10119400 0.58694400 1.0 O O56 1 0.63487700 0.06259300 0.72659700 1.0 O O57 1 0.73571800 0.83526600 0.63643500 1.0 O O58 1 0.65300700 0.10997600 0.44315300 1.0 O O59 1 0.73855500 0.74844100 0.22426300 1.0 O O60 1 0.75104400 0.69729700 0.06970400 1.0 O O61 1 0.68788600 0.13457400 0.97556800 1.0 O O62 1 0.74844100 0.73855500 0.77573700 1.0 O O63 1 0.78976600 0.53337200 0.65926800 1.0 O O64 1 0.83526600 0.73571800 0.36356500 1.0 O O65 1 0.81387000 0.38140600 0.20990900 1.0 O O66 1 0.89880600 0.36500400 0.91305600 1.0 O O67 1 0.34699300 0.89002400 0.94315300 1.0