# generated using pymatgen data_MgCu6OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57986832 _cell_length_b 4.99533614 _cell_length_c 8.31760260 _cell_angle_alpha 94.37412602 _cell_angle_beta 95.99388348 _cell_angle_gamma 85.14419799 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCu6OF11 _chemical_formula_sum 'Mg1 Cu6 O1 F11' _cell_volume 229.21170001 _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 Mg Mg0 1 0.66679300 0.99940900 0.16272500 1.0 Cu Cu1 1 0.04073300 0.02590400 0.96174500 1.0 Cu Cu2 1 0.49356800 0.51669100 0.00576000 1.0 Cu Cu3 1 0.29052700 0.94010300 0.34770800 1.0 Cu Cu4 1 0.78618400 0.51411200 0.34633800 1.0 Cu Cu5 1 0.16710500 0.49468200 0.65614000 1.0 Cu Cu6 1 0.66334300 0.00997000 0.66642900 1.0 O O7 1 0.50592700 0.68756300 0.22951200 1.0 F F8 1 0.34187000 0.16984800 0.07422500 1.0 F F9 1 0.97575700 0.80646300 0.25281400 1.0 F F10 1 0.82857000 0.29427600 0.08218500 1.0 F F11 1 0.10821500 0.29798300 0.43048900 1.0 F F12 1 0.61423000 0.18319100 0.37952100 1.0 F F13 1 0.38942700 0.81671000 0.58155300 1.0 F F14 1 0.87322400 0.71304000 0.58273600 1.0 F F15 1 0.46306300 0.30697400 0.76212700 1.0 F F16 1 0.20431600 0.69702300 0.88056300 1.0 F F17 1 0.94155600 0.20223400 0.73954700 1.0 F F18 1 0.72058700 0.82382500 0.94382300 1.0