# generated using pymatgen data_Cu5Bi2(B2O7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62113173 _cell_length_b 9.26261231 _cell_length_c 10.23856555 _cell_angle_alpha 67.34611701 _cell_angle_beta 81.69476349 _cell_angle_gamma 82.53334546 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu5Bi2(B2O7)2 _chemical_formula_sum 'Cu5 Bi2 B4 O14' _cell_volume 312.55448681 _cell_formula_units_Z 1 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 Cu Cu0 1 0.04207800 0.42205700 0.00407100 1.0 Cu Cu1 1 0.09959000 0.60106900 0.65881500 1.0 Cu Cu2 1 0.54874800 0.42063400 0.50428800 1.0 Cu Cu3 1 0.98134700 0.24137400 0.35317900 1.0 Cu Cu4 1 0.05273800 0.92121900 0.50650700 1.0 Bi Bi5 1 0.56059500 0.77768300 0.83257000 1.0 Bi Bi6 1 0.52530800 0.06724200 0.17743700 1.0 B B7 1 0.90930300 0.12570100 0.67690500 1.0 B B8 1 0.55157900 0.28650000 0.81417600 1.0 B B9 1 0.19262300 0.71919700 0.33496000 1.0 B B10 1 0.54453900 0.56000000 0.19521400 1.0 O O11 1 0.38773500 0.08000000 0.38825400 1.0 O O12 1 0.97983800 0.22519800 0.16980800 1.0 O O13 1 0.17579400 0.59706800 0.46422700 1.0 O O14 1 0.46297400 0.29042400 0.94737700 1.0 O O15 1 0.70135800 0.76737700 0.62148300 1.0 O O16 1 0.62523000 0.55549300 0.06213600 1.0 O O17 1 0.43889200 0.40867600 0.69597700 1.0 O O18 1 0.03499700 0.97378800 0.68944300 1.0 O O19 1 0.34793100 0.69641600 0.20952700 1.0 O O20 1 0.06405800 0.87070700 0.32350700 1.0 O O21 1 0.11021000 0.62069500 0.84056000 1.0 O O22 1 0.76113700 0.15165700 0.80149800 1.0 O O23 1 0.92424500 0.24624800 0.54685900 1.0 O O24 1 0.65405500 0.43627800 0.31242200 1.0