# generated using pymatgen data_Li7(CuO2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21292100 _cell_length_b 6.85672197 _cell_length_c 8.25649862 _cell_angle_alpha 101.46287443 _cell_angle_beta 105.41652910 _cell_angle_gamma 99.80049004 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li7(CuO2)6 _chemical_formula_sum 'Li7 Cu6 O12' _cell_volume 270.94176508 _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 Li Li0 1 0.59086100 0.88039800 0.91287500 1.0 Li Li1 1 0.50000000 0.50000000 0.00000000 1.0 Li Li2 1 0.40913900 0.11960200 0.08712500 1.0 Li Li3 1 0.50093700 0.51196800 0.33154100 1.0 Li Li4 1 0.40879900 0.11804100 0.42011300 1.0 Li Li5 1 0.59120100 0.88195900 0.57988700 1.0 Li Li6 1 0.49906300 0.48803200 0.66845900 1.0 Cu Cu7 1 0.95066800 0.26591900 0.86925000 1.0 Cu Cu8 1 0.95884900 0.27056900 0.20673400 1.0 Cu Cu9 1 0.95912100 0.27108800 0.53735500 1.0 Cu Cu10 1 0.04933200 0.73408100 0.13075000 1.0 Cu Cu11 1 0.04087900 0.72891200 0.46264500 1.0 Cu Cu12 1 0.04115100 0.72943100 0.79326600 1.0 O O13 1 0.78583000 0.66334000 0.90844600 1.0 O O14 1 0.70456500 0.18106100 0.98540600 1.0 O O15 1 0.79648600 0.64492700 0.23887600 1.0 O O16 1 0.69967400 0.20598800 0.31774900 1.0 O O17 1 0.77985300 0.66124600 0.57330800 1.0 O O18 1 0.70272100 0.18470700 0.64313200 1.0 O O19 1 0.29543500 0.81893900 0.01459400 1.0 O O20 1 0.21417000 0.33666000 0.09155400 1.0 O O21 1 0.29727900 0.81529300 0.35686800 1.0 O O22 1 0.22014700 0.33875400 0.42669200 1.0 O O23 1 0.30032600 0.79401200 0.68225100 1.0 O O24 1 0.20351400 0.35507300 0.76112400 1.0