# generated using pymatgen data_LiCuTeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18464900 _cell_length_b 6.18464900 _cell_length_c 8.63654100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuTeO4 _chemical_formula_sum 'Li4 Cu4 Te4 O16' _cell_volume 330.34668496 _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 0.20981500 0.00000000 1.0 Li Li1 1 0.00000000 0.79018500 0.50000000 1.0 Li Li2 1 0.20981500 0.00000000 0.25000000 1.0 Li Li3 1 0.79018500 0.00000000 0.75000000 1.0 Cu Cu4 1 0.24614500 0.24614500 0.62500000 1.0 Cu Cu5 1 0.24614500 0.75385500 0.87500000 1.0 Cu Cu6 1 0.75385500 0.24614500 0.37500000 1.0 Cu Cu7 1 0.75385500 0.75385500 0.12500000 1.0 Te Te8 1 0.22667400 0.50000000 0.25000000 1.0 Te Te9 1 0.50000000 0.22667400 0.00000000 1.0 Te Te10 1 0.50000000 0.77332600 0.50000000 1.0 Te Te11 1 0.77332600 0.50000000 0.75000000 1.0 O O12 1 0.02487500 0.26568000 0.25066000 1.0 O O13 1 0.02487500 0.73432000 0.24934000 1.0 O O14 1 0.26568000 0.02487500 0.99934000 1.0 O O15 1 0.26568000 0.97512500 0.50066000 1.0 O O16 1 0.26851300 0.48364800 0.01630900 1.0 O O17 1 0.26851300 0.51635200 0.48369100 1.0 O O18 1 0.48364800 0.26851300 0.23369100 1.0 O O19 1 0.48364800 0.73148700 0.26630900 1.0 O O20 1 0.51635200 0.26851300 0.76630900 1.0 O O21 1 0.51635200 0.73148700 0.73369100 1.0 O O22 1 0.73148700 0.51635200 0.51630900 1.0 O O23 1 0.73148700 0.48364800 0.98369100 1.0 O O24 1 0.73432000 0.02487500 0.00066000 1.0 O O25 1 0.73432000 0.97512500 0.49934000 1.0 O O26 1 0.97512500 0.26568000 0.74934000 1.0 O O27 1 0.97512500 0.73432000 0.75066000 1.0