# generated using pymatgen data_Li3Cu4F15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80176100 _cell_length_b 16.64234600 _cell_length_c 18.13714600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Cu4F15 _chemical_formula_sum 'Li12 Cu16 F60' _cell_volume 1147.54125335 _cell_formula_units_Z 4 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 Li Li0 1 0.00000000 0.04226900 0.16550700 1.0 Li Li1 1 0.00000000 0.34630500 0.01485400 1.0 Li Li2 1 0.00000000 0.32299900 0.39459100 1.0 Li Li3 1 0.00000000 0.81850000 0.14595000 1.0 Li Li4 1 0.00000000 0.57779200 0.38513500 1.0 Li Li5 1 0.00000000 0.82404800 0.52815000 1.0 Li Li6 1 0.50000000 0.17595200 0.02815000 1.0 Li Li7 1 0.50000000 0.18150000 0.64595000 1.0 Li Li8 1 0.50000000 0.42220800 0.88513500 1.0 Li Li9 1 0.50000000 0.65369500 0.51485400 1.0 Li Li10 1 0.50000000 0.67700100 0.89459100 1.0 Li Li11 1 0.50000000 0.95773100 0.66550700 1.0 Cu Cu12 1 0.00000000 0.02928000 0.82450300 1.0 Cu Cu13 1 0.00000000 0.96629600 0.01683200 1.0 Cu Cu14 1 0.00000000 0.46787100 0.53157600 1.0 Cu Cu15 1 0.00000000 0.31827800 0.67924200 1.0 Cu Cu16 1 0.00000000 0.24714100 0.87642300 1.0 Cu Cu17 1 0.00000000 0.53139600 0.72367500 1.0 Cu Cu18 1 0.00000000 0.74772000 0.67118200 1.0 Cu Cu19 1 0.00000000 0.81643100 0.87008700 1.0 Cu Cu20 1 0.50000000 0.25228000 0.17118200 1.0 Cu Cu21 1 0.50000000 0.53212900 0.03157600 1.0 Cu Cu22 1 0.50000000 0.46860400 0.22367500 1.0 Cu Cu23 1 0.50000000 0.68172200 0.17924200 1.0 Cu Cu24 1 0.50000000 0.03370400 0.51683200 1.0 Cu Cu25 1 0.50000000 0.18356900 0.37008700 1.0 Cu Cu26 1 0.50000000 0.75285900 0.37642300 1.0 Cu Cu27 1 0.50000000 0.97072000 0.32450300 1.0 F F28 1 0.00000000 0.06785000 0.06226200 1.0 F F29 1 0.00000000 0.25172900 0.16721500 1.0 F F30 1 0.00000000 0.52925800 0.03263400 1.0 F F31 1 0.00000000 0.19289900 0.37175200 1.0 F F32 1 0.00000000 0.03363800 0.51589300 1.0 F F33 1 0.00000000 0.47016700 0.22339700 1.0 F F34 1 0.00000000 0.02416600 0.72297600 1.0 F F35 1 0.00000000 0.69178800 0.17752700 1.0 F F36 1 0.00000000 0.42425900 0.43785900 1.0 F F37 1 0.00000000 0.21276000 0.64210700 1.0 F F38 1 0.00000000 0.36703600 0.58151900 1.0 F F39 1 0.00000000 0.02835500 0.92774900 1.0 F F40 1 0.00000000 0.92514400 0.11359800 1.0 F F41 1 0.00000000 0.14269400 0.83558000 1.0 F F42 1 0.00000000 0.57352400 0.48867800 1.0 F F43 1 0.00000000 0.27688200 0.77749500 1.0 F F44 1 0.00000000 0.74910100 0.38204900 1.0 F F45 1 0.00000000 0.52930300 0.62040600 1.0 F F46 1 0.00000000 0.41636600 0.72913900 1.0 F F47 1 0.00000000 0.21772300 0.97861800 1.0 F F48 1 0.00000000 0.97109300 0.32235900 1.0 F F49 1 0.00000000 0.71231500 0.57024100 1.0 F F50 1 0.00000000 0.36022800 0.90415000 1.0 F F51 1 0.00000000 0.64513600 0.71345700 1.0 F F52 1 0.00000000 0.53369500 0.82337800 1.0 F F53 1 0.00000000 0.85430300 0.63675800 1.0 F F54 1 0.00000000 0.77921400 0.77002100 1.0 F F55 1 0.00000000 0.70983800 0.90332400 1.0 F F56 1 0.00000000 0.91557600 0.82307000 1.0 F F57 1 0.00000000 0.86374000 0.96987800 1.0 F F58 1 0.50000000 0.28768500 0.07024100 1.0 F F59 1 0.50000000 0.22078600 0.27002100 1.0 F F60 1 0.50000000 0.08442400 0.32307000 1.0 F F61 1 0.50000000 0.30821200 0.67752700 1.0 F F62 1 0.50000000 0.07485600 0.61359800 1.0 F F63 1 0.50000000 0.29016200 0.40332400 1.0 F F64 1 0.50000000 0.35486400 0.21345700 1.0 F F65 1 0.50000000 0.63296400 0.08151900 1.0 F F66 1 0.50000000 0.72311800 0.27749500 1.0 F F67 1 0.50000000 0.96636200 0.01589300 1.0 F F68 1 0.50000000 0.02890700 0.82235900 1.0 F F69 1 0.50000000 0.14569700 0.13675800 1.0 F F70 1 0.50000000 0.25089900 0.88204900 1.0 F F71 1 0.50000000 0.46630500 0.32337800 1.0 F F72 1 0.50000000 0.58363400 0.22913900 1.0 F F73 1 0.50000000 0.74827100 0.66721500 1.0 F F74 1 0.50000000 0.13626000 0.46987800 1.0 F F75 1 0.50000000 0.47069700 0.12040600 1.0 F F76 1 0.50000000 0.63977200 0.40415000 1.0 F F77 1 0.50000000 0.78227700 0.47861800 1.0 F F78 1 0.50000000 0.97583400 0.22297600 1.0 F F79 1 0.50000000 0.52983300 0.72339700 1.0 F F80 1 0.50000000 0.85730600 0.33558000 1.0 F F81 1 0.50000000 0.97164500 0.42774900 1.0 F F82 1 0.50000000 0.42647600 0.98867800 1.0 F F83 1 0.50000000 0.47074200 0.53263400 1.0 F F84 1 0.50000000 0.78724000 0.14210700 1.0 F F85 1 0.50000000 0.80710100 0.87175200 1.0 F F86 1 0.50000000 0.93215000 0.56226200 1.0 F F87 1 0.50000000 0.57574100 0.93785900 1.0