# generated using pymatgen data_Bi2B2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43170800 _cell_length_b 6.58602463 _cell_length_c 8.01112566 _cell_angle_alpha 108.52028562 _cell_angle_beta 86.78235755 _cell_angle_gamma 100.63788194 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2B2O7 _chemical_formula_sum 'Bi4 B4 O14' _cell_volume 267.07175551 _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 Bi Bi0 1 0.81386500 0.59429600 0.85867900 1.0 Bi Bi1 1 0.27465800 0.19143100 0.60482000 1.0 Bi Bi2 1 0.72534200 0.80856900 0.39518000 1.0 Bi Bi3 1 0.18613500 0.40570400 0.14132100 1.0 B B4 1 0.64839300 0.15173900 0.83634600 1.0 B B5 1 0.20177300 0.67355500 0.57909500 1.0 B B6 1 0.79822700 0.32644500 0.42090500 1.0 B B7 1 0.35160700 0.84826100 0.16365400 1.0 O O8 1 0.47557800 0.30757200 0.87986700 1.0 O O9 1 0.90667000 0.27625300 0.86615600 1.0 O O10 1 0.38135200 0.98883200 0.03503800 1.0 O O11 1 0.05291800 0.83125000 0.60704700 1.0 O O12 1 0.19278700 0.56808100 0.70455000 1.0 O O13 1 0.66306100 0.39894100 0.57531600 1.0 O O14 1 0.57995500 0.99871500 0.66438200 1.0 O O15 1 0.42004500 0.00128500 0.33561800 1.0 O O16 1 0.33693900 0.60105900 0.42468400 1.0 O O17 1 0.80721300 0.43191900 0.29545000 1.0 O O18 1 0.94708200 0.16875000 0.39295300 1.0 O O19 1 0.61864800 0.01116800 0.96496200 1.0 O O20 1 0.09333000 0.72374700 0.13384400 1.0 O O21 1 0.52442200 0.69242800 0.12013300 1.0