# generated using pymatgen data_BiP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85097500 _cell_length_b 7.63933200 _cell_length_c 10.18215583 _cell_angle_alpha 69.42550741 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiP2O7 _chemical_formula_sum 'Bi4 P8 O28' _cell_volume 644.55849003 _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 0.49439500 0.26057400 0.24782500 1.0 Bi Bi1 1 0.00560500 0.26057400 0.74782500 1.0 Bi Bi2 1 0.99439500 0.73942600 0.25217500 1.0 Bi Bi3 1 0.50560500 0.73942600 0.75217500 1.0 P P4 1 0.70483000 0.31980300 0.94088600 1.0 P P5 1 0.29517000 0.68019700 0.05911400 1.0 P P6 1 0.79517000 0.31980300 0.44088600 1.0 P P7 1 0.25495800 0.07510800 0.54249500 1.0 P P8 1 0.75495800 0.92489200 0.95750500 1.0 P P9 1 0.74504200 0.92489200 0.45750500 1.0 P P10 1 0.24504200 0.07510800 0.04249500 1.0 P P11 1 0.20483000 0.68019700 0.55911400 1.0 O O12 1 0.90856700 0.44411600 0.33641300 1.0 O O13 1 0.10389400 0.02670200 0.13490800 1.0 O O14 1 0.35940500 0.19959100 0.08048000 1.0 O O15 1 0.39610600 0.02670200 0.63490800 1.0 O O16 1 0.89610600 0.97329800 0.86509200 1.0 O O17 1 0.64059500 0.80040900 0.91952000 1.0 O O18 1 0.60389400 0.97329800 0.36509200 1.0 O O19 1 0.16257900 0.88509200 0.56109800 1.0 O O20 1 0.71104500 0.83063900 0.61520500 1.0 O O21 1 0.30910100 0.68190800 0.90810100 1.0 O O22 1 0.85940500 0.80040900 0.41952000 1.0 O O23 1 0.37236800 0.64099500 0.60034500 1.0 O O24 1 0.33742100 0.88509200 0.06109800 1.0 O O25 1 0.78895500 0.83063900 0.11520500 1.0 O O26 1 0.19089900 0.68190800 0.40810100 1.0 O O27 1 0.09143300 0.55588400 0.66358700 1.0 O O28 1 0.59143300 0.44411600 0.83641300 1.0 O O29 1 0.28895500 0.16936100 0.38479500 1.0 O O30 1 0.12763200 0.64099500 0.10034500 1.0 O O31 1 0.40856700 0.55588400 0.16358700 1.0 O O32 1 0.87236800 0.35900500 0.89965500 1.0 O O33 1 0.80910100 0.31809200 0.59189900 1.0 O O34 1 0.21104500 0.16936100 0.88479500 1.0 O O35 1 0.66257900 0.11490800 0.93890200 1.0 O O36 1 0.62763200 0.35900500 0.39965500 1.0 O O37 1 0.14059500 0.19959100 0.58048000 1.0 O O38 1 0.69089900 0.31809200 0.09189900 1.0 O O39 1 0.83742100 0.11490800 0.43890200 1.0