# generated using pymatgen data_Co3O5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88795900 _cell_length_b 4.51660600 _cell_length_c 13.53765700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co3O5F _chemical_formula_sum 'Co6 O10 F2' _cell_volume 176.58212414 _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 Co Co0 1 0.00000000 0.72039400 0.00044600 1.0 Co Co1 1 0.00000000 0.77718600 0.34151700 1.0 Co Co2 1 0.00000000 0.78466200 0.65803300 1.0 Co Co3 1 0.50000000 0.21533800 0.15803300 1.0 Co Co4 1 0.50000000 0.27960600 0.50044600 1.0 Co Co5 1 0.50000000 0.22281400 0.84151700 1.0 O O6 1 0.50000000 0.94408600 0.27066900 1.0 O O7 1 0.50000000 0.90622000 0.93894500 1.0 O O8 1 0.50000000 0.98508700 0.59613900 1.0 O O9 1 0.00000000 0.05591400 0.77066900 1.0 O O10 1 0.00000000 0.01491300 0.09613900 1.0 O O11 1 0.00000000 0.09378000 0.43894500 1.0 O O12 1 0.00000000 0.46959000 0.56251200 1.0 O O13 1 0.00000000 0.41995900 0.90134700 1.0 O O14 1 0.50000000 0.53041000 0.06251200 1.0 O O15 1 0.50000000 0.58004100 0.40134700 1.0 F F16 1 0.00000000 0.43810000 0.23069500 1.0 F F17 1 0.50000000 0.56190000 0.73069500 1.0