# generated using pymatgen data_ZnCuBi2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33275500 _cell_length_b 10.44846086 _cell_length_c 11.67875548 _cell_angle_alpha 97.55957336 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuBi2O7 _chemical_formula_sum 'Zn6 Cu6 Bi12 O42' _cell_volume 1007.96714702 _cell_formula_units_Z 6 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 0.46095500 0.13495800 0.58506200 1.0 Zn Zn1 1 0.95641400 0.50000000 0.75000000 1.0 Zn Zn2 1 0.46095500 0.86504200 0.91493800 1.0 Zn Zn3 1 0.04358600 0.50000000 0.25000000 1.0 Zn Zn4 1 0.53904500 0.86504200 0.41493800 1.0 Zn Zn5 1 0.53904500 0.13495800 0.08506200 1.0 Cu Cu6 1 0.90725500 0.79166000 0.42348800 1.0 Cu Cu7 1 0.09274500 0.20834000 0.57651200 1.0 Cu Cu8 1 0.40889300 0.50000000 0.25000000 1.0 Cu Cu9 1 0.90725500 0.20834000 0.07651200 1.0 Cu Cu10 1 0.59110700 0.50000000 0.75000000 1.0 Cu Cu11 1 0.09274500 0.79166000 0.92348800 1.0 Bi Bi12 1 0.21182400 0.19245400 0.30134900 1.0 Bi Bi13 1 0.74847200 0.16890100 0.36426700 1.0 Bi Bi14 1 0.25152800 0.16890100 0.86426700 1.0 Bi Bi15 1 0.78817600 0.19245400 0.80134900 1.0 Bi Bi16 1 0.27785600 0.51692800 0.97621200 1.0 Bi Bi17 1 0.74847200 0.83109900 0.13573300 1.0 Bi Bi18 1 0.72214400 0.51692800 0.47621200 1.0 Bi Bi19 1 0.25152800 0.83109900 0.63573300 1.0 Bi Bi20 1 0.27785600 0.48307200 0.52378800 1.0 Bi Bi21 1 0.72214400 0.48307200 0.02378800 1.0 Bi Bi22 1 0.78817600 0.80754600 0.69865100 1.0 Bi Bi23 1 0.21182400 0.80754600 0.19865100 1.0 O O24 1 0.72275300 0.23921600 0.98929100 1.0 O O25 1 0.76641200 0.85347000 0.31967200 1.0 O O26 1 0.86566900 0.00000000 0.75000000 1.0 O O27 1 0.92642000 0.52687500 0.11393300 1.0 O O28 1 0.40578500 0.94217500 0.55194900 1.0 O O29 1 0.93953100 0.27768800 0.68624400 1.0 O O30 1 0.35546700 0.32289900 0.96644600 1.0 O O31 1 0.07358000 0.52687500 0.61393300 1.0 O O32 1 0.75411400 0.43484000 0.83971100 1.0 O O33 1 0.40578500 0.05782500 0.94805100 1.0 O O34 1 0.75411400 0.56516000 0.66028900 1.0 O O35 1 0.46882500 0.56143700 0.87455000 1.0 O O36 1 0.99008500 0.82958900 0.06826300 1.0 O O37 1 0.06046900 0.27768800 0.18624400 1.0 O O38 1 0.64453300 0.67710100 0.03355400 1.0 O O39 1 0.35546700 0.67710100 0.53355400 1.0 O O40 1 0.93953100 0.72231200 0.81375600 1.0 O O41 1 0.59421500 0.05782500 0.44805100 1.0 O O42 1 0.27724700 0.23921600 0.48929100 1.0 O O43 1 0.53117500 0.43856300 0.12545000 1.0 O O44 1 0.44395600 0.80357500 0.26377500 1.0 O O45 1 0.24588600 0.56516000 0.16028900 1.0 O O46 1 0.00991500 0.82958900 0.56826300 1.0 O O47 1 0.24588600 0.43484000 0.33971100 1.0 O O48 1 0.92642000 0.47312500 0.38606700 1.0 O O49 1 0.53117500 0.56143700 0.37455000 1.0 O O50 1 0.07358000 0.47312500 0.88606700 1.0 O O51 1 0.55604400 0.80357500 0.76377500 1.0 O O52 1 0.55604400 0.19642500 0.73622500 1.0 O O53 1 0.00991500 0.17041100 0.93173700 1.0 O O54 1 0.06046900 0.72231200 0.31375600 1.0 O O55 1 0.72275300 0.76078400 0.51070900 1.0 O O56 1 0.13433100 0.00000000 0.25000000 1.0 O O57 1 0.23358800 0.85347000 0.81967200 1.0 O O58 1 0.59421500 0.94217500 0.05194900 1.0 O O59 1 0.99008500 0.17041100 0.43173700 1.0 O O60 1 0.27724700 0.76078400 0.01070900 1.0 O O61 1 0.76641200 0.14653000 0.18032800 1.0 O O62 1 0.46882500 0.43856300 0.62545000 1.0 O O63 1 0.64453300 0.32289900 0.46644600 1.0 O O64 1 0.23358800 0.14653000 0.68032800 1.0 O O65 1 0.44395600 0.19642500 0.23622500 1.0