# generated using pymatgen data_Ba2Co2F11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63776430 _cell_length_b 7.63776430 _cell_length_c 14.13993200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000261 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Co2F11 _chemical_formula_sum 'Ba6 Co6 F33' _cell_volume 714.34900693 _cell_formula_units_Z 3 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 Ba Ba0 1 0.53655300 0.17964000 0.67041200 1.0 Ba Ba1 1 0.14515100 0.47267300 0.82654900 1.0 Ba Ba2 1 0.64308700 0.46344700 0.00374600 1.0 Ba Ba3 1 0.52732700 0.67247800 0.49321600 1.0 Ba Ba4 1 0.32752200 0.85484900 0.15988300 1.0 Ba Ba5 1 0.82036000 0.35691300 0.33707900 1.0 Co Co6 1 0.64255000 0.97472400 0.88306500 1.0 Co Co7 1 0.85325300 0.77455500 0.72705100 1.0 Co Co8 1 0.22544500 0.07869800 0.39371700 1.0 Co Co9 1 0.33217400 0.35745000 0.21639800 1.0 Co Co10 1 0.92130200 0.14674700 0.06038400 1.0 Co Co11 1 0.02527600 0.66782600 0.54973200 1.0 F F12 1 0.63484100 0.05818300 0.01701400 1.0 F F13 1 0.51628700 0.71541500 0.93386500 1.0 F F14 1 0.42334300 0.36515900 0.35034700 1.0 F F15 1 0.11292400 0.49948500 0.48967000 1.0 F F16 1 0.52421000 0.27906100 0.18167600 1.0 F F17 1 0.94785400 0.60141800 0.17859100 1.0 F F18 1 0.50051500 0.61343900 0.15633700 1.0 F F19 1 0.39858200 0.34643500 0.84525700 1.0 F F20 1 0.75485100 0.47579000 0.51500900 1.0 F F21 1 0.21262900 0.28406400 0.08800500 1.0 F F22 1 0.38656100 0.88707600 0.82300300 1.0 F F23 1 0.94181700 0.57665700 0.68368000 1.0 F F24 1 0.32580300 0.05952900 0.00733300 1.0 F F25 1 0.98665600 0.41013000 0.01337900 1.0 F F26 1 0.73372600 0.67419700 0.34066600 1.0 F F27 1 0.28458500 0.80087200 0.60053200 1.0 F F28 1 0.92945000 0.09249600 0.91609200 1.0 F F29 1 0.07143500 0.78737100 0.42133800 1.0 F F30 1 0.01261700 0.11568000 0.40427000 1.0 F F31 1 0.94047100 0.26627400 0.67400000 1.0 F F32 1 0.10306300 0.98738300 0.73760300 1.0 F F33 1 0.58987000 0.57652600 0.68004600 1.0 F F34 1 0.42347400 0.01334400 0.34671300 1.0 F F35 1 0.16304600 0.07055000 0.24942500 1.0 F F36 1 0.71593600 0.92856500 0.75467100 1.0 F F37 1 0.72093900 0.24514900 0.84834200 1.0 F F38 1 0.19912800 0.48371300 0.26719900 1.0 F F39 1 0.84298000 0.66891900 0.84909400 1.0 F F40 1 0.82593900 0.15702000 0.18242700 1.0 F F41 1 0.88432000 0.89693700 0.07093600 1.0 F F42 1 0.65356500 0.05214600 0.51192400 1.0 F F43 1 0.90750400 0.83695400 0.58275900 1.0 F F44 1 0.33108100 0.17406100 0.51576000 1.0