# generated using pymatgen data_BeCuO5F4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30682700 _cell_length_b 6.54576553 _cell_length_c 10.63002119 _cell_angle_alpha 107.38194711 _cell_angle_beta 84.75577070 _cell_angle_gamma 112.44822302 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCuO5F4 _chemical_formula_sum 'Be2 Cu2 O10 F8' _cell_volume 325.58493993 _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 Be Be0 1 0.60997500 0.74589000 0.27473900 1.0 Be Be1 1 0.39002500 0.25411000 0.72526100 1.0 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu3 1 0.00000000 0.00000000 0.50000000 1.0 O O4 1 0.82150500 0.19582500 0.95154600 1.0 O O5 1 0.17849500 0.80417500 0.04845400 1.0 O O6 1 0.29082400 0.25645500 0.13262300 1.0 O O7 1 0.70917600 0.74354500 0.86737700 1.0 O O8 1 0.40387200 0.99246200 0.45918100 1.0 O O9 1 0.59612800 0.00753800 0.54081900 1.0 O O10 1 0.01685800 0.53935900 0.54567400 1.0 O O11 1 0.98314200 0.46064100 0.45432600 1.0 O O12 1 0.53475200 0.30343700 0.12375600 1.0 O O13 1 0.46524800 0.69656300 0.87624400 1.0 F F14 1 0.74855300 0.81052900 0.13373300 1.0 F F15 1 0.25144700 0.18947100 0.86626700 1.0 F F16 1 0.83549600 0.93077300 0.34734900 1.0 F F17 1 0.16450400 0.06922700 0.65265100 1.0 F F18 1 0.56935700 0.49815500 0.34841200 1.0 F F19 1 0.43064300 0.50184500 0.65158800 1.0 F F20 1 0.34710100 0.80205400 0.24882000 1.0 F F21 1 0.65289900 0.19794600 0.75118000 1.0