# generated using pymatgen data_LiCuF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71167090 _cell_length_b 7.71167090 _cell_length_c 12.19173927 _cell_angle_alpha 60.12824706 _cell_angle_beta 60.12824706 _cell_angle_gamma 28.90578335 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuF4 _chemical_formula_sum 'Li4 Cu4 F16' _cell_volume 300.55340258 _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 0.19846400 0.19846400 0.83265600 1.0 Li Li1 1 0.65755500 0.65755500 0.65766800 1.0 Li Li2 1 0.34562400 0.34562400 0.33794700 1.0 Li Li3 1 0.80594800 0.80594800 0.16687700 1.0 Cu Cu4 1 0.03615800 0.03615800 0.13245600 1.0 Cu Cu5 1 0.13794500 0.13794500 0.36073600 1.0 Cu Cu6 1 0.86244600 0.86244600 0.63902600 1.0 Cu Cu7 1 0.96510300 0.96510300 0.86737700 1.0 F F8 1 0.07353000 0.07353000 0.26220000 1.0 F F9 1 0.10696900 0.10696900 0.73862900 1.0 F F10 1 0.19616700 0.19616700 0.46589200 1.0 F F11 1 0.28015600 0.28015600 0.21691600 1.0 F F12 1 0.17176500 0.17176500 0.00474400 1.0 F F13 1 0.52167100 0.52167100 0.14637500 1.0 F F14 1 0.34868400 0.34868400 0.65637900 1.0 F F15 1 0.65196300 0.65196300 0.34398900 1.0 F F16 1 0.47488100 0.47488100 0.85783900 1.0 F F17 1 0.82995300 0.82995300 0.99728100 1.0 F F18 1 0.71947200 0.71947200 0.78149900 1.0 F F19 1 0.80605600 0.80605600 0.53224200 1.0 F F20 1 0.00244900 0.00244900 0.99875200 1.0 F F21 1 0.89242000 0.89242000 0.25934100 1.0 F F22 1 0.00067500 0.00067500 0.50090400 1.0 F F23 1 0.92201700 0.92201700 0.74227500 1.0