# generated using pymatgen data_Zn4Cu5(TeO6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75317349 _cell_length_b 8.75317349 _cell_length_c 10.52292373 _cell_angle_alpha 84.62132230 _cell_angle_beta 84.62132230 _cell_angle_gamma 61.11008989 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn4Cu5(TeO6)3 _chemical_formula_sum 'Zn8 Cu10 Te6 O36' _cell_volume 701.71364476 _cell_formula_units_Z 2 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 Zn Zn0 1 0.33941900 0.06467600 0.08164400 1.0 Zn Zn1 1 0.36202200 0.67681800 0.96140400 1.0 Zn Zn2 1 0.93532400 0.66058100 0.41835600 1.0 Zn Zn3 1 0.32318200 0.63797800 0.53859700 1.0 Zn Zn4 1 0.67681800 0.36202200 0.46140300 1.0 Zn Zn5 1 0.06467600 0.33941900 0.58164400 1.0 Zn Zn6 1 0.66058100 0.93532400 0.91835600 1.0 Zn Zn7 1 0.63797800 0.32318200 0.03859700 1.0 Cu Cu8 1 0.31422100 0.98624200 0.73580400 1.0 Cu Cu9 1 0.98624200 0.31422100 0.23580400 1.0 Cu Cu10 1 0.14344100 0.52964200 0.05309300 1.0 Cu Cu11 1 0.52964200 0.14344100 0.55309300 1.0 Cu Cu12 1 0.47035800 0.85655900 0.44690700 1.0 Cu Cu13 1 0.83040300 0.16959700 0.75000000 1.0 Cu Cu14 1 0.16959700 0.83040300 0.25000000 1.0 Cu Cu15 1 0.85655900 0.47035800 0.94690700 1.0 Cu Cu16 1 0.68577900 0.01375800 0.26419600 1.0 Cu Cu17 1 0.01375800 0.68577900 0.76419600 1.0 Te Te18 1 0.66587900 0.65007500 0.69828500 1.0 Te Te19 1 0.00000000 0.00000000 0.00000000 1.0 Te Te20 1 0.00000000 0.00000000 0.50000000 1.0 Te Te21 1 0.65007500 0.66587900 0.19828500 1.0 Te Te22 1 0.33412100 0.34992500 0.30171500 1.0 Te Te23 1 0.34992500 0.33412100 0.80171500 1.0 O O24 1 0.88612800 0.58999500 0.59898900 1.0 O O25 1 0.24310100 0.90016700 0.55075100 1.0 O O26 1 0.42803400 0.76782600 0.29884600 1.0 O O27 1 0.92004100 0.93416800 0.16549600 1.0 O O28 1 0.09983300 0.75689900 0.94924900 1.0 O O29 1 0.06583200 0.07995900 0.33450400 1.0 O O30 1 0.57141300 0.57954100 0.06865500 1.0 O O31 1 0.91644100 0.22781700 0.57549800 1.0 O O32 1 0.08355900 0.77218300 0.42450200 1.0 O O33 1 0.22323700 0.27934200 0.17084000 1.0 O O34 1 0.44562200 0.74953300 0.80186900 1.0 O O35 1 0.77676300 0.72065800 0.82916000 1.0 O O36 1 0.75689900 0.09983300 0.44924900 1.0 O O37 1 0.54615100 0.88837500 0.61246100 1.0 O O38 1 0.25046700 0.55437800 0.69813100 1.0 O O39 1 0.42858700 0.42045900 0.93134500 1.0 O O40 1 0.55437800 0.25046700 0.19813100 1.0 O O41 1 0.11162500 0.45384900 0.88753900 1.0 O O42 1 0.23217400 0.57196600 0.20115400 1.0 O O43 1 0.74953300 0.44562200 0.30186900 1.0 O O44 1 0.58999500 0.88612800 0.09898900 1.0 O O45 1 0.45384900 0.11162500 0.38753900 1.0 O O46 1 0.77218300 0.08355900 0.92450200 1.0 O O47 1 0.57954100 0.57141300 0.56865500 1.0 O O48 1 0.57196600 0.23217400 0.70115400 1.0 O O49 1 0.93416800 0.92004100 0.66549600 1.0 O O50 1 0.27934200 0.22323700 0.67084000 1.0 O O51 1 0.42045900 0.42858700 0.43134500 1.0 O O52 1 0.90016700 0.24310100 0.05075100 1.0 O O53 1 0.88837500 0.54615100 0.11246100 1.0 O O54 1 0.11387200 0.41000500 0.40101100 1.0 O O55 1 0.07995900 0.06583200 0.83450400 1.0 O O56 1 0.22781700 0.91644100 0.07549800 1.0 O O57 1 0.72065800 0.77676300 0.32916000 1.0 O O58 1 0.76782600 0.42803400 0.79884600 1.0 O O59 1 0.41000500 0.11387200 0.90101100 1.0