# generated using pymatgen data_ZnCu2(NiO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37546090 _cell_length_b 8.32317100 _cell_length_c 11.65686573 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.87262508 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu2(NiO4)2 _chemical_formula_sum 'Zn4 Cu8 Ni8 O32' _cell_volume 618.23017430 _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 Zn Zn0 1 0.10879700 0.15874000 0.04809900 1.0 Zn Zn1 1 0.89120300 0.84126000 0.95190100 1.0 Zn Zn2 1 0.89120300 0.65874000 0.45190100 1.0 Zn Zn3 1 0.10879700 0.34126000 0.54809900 1.0 Cu Cu4 1 0.74869600 0.19008600 0.87594200 1.0 Cu Cu5 1 0.38175300 0.05941900 0.62338700 1.0 Cu Cu6 1 0.61824700 0.94058100 0.37661300 1.0 Cu Cu7 1 0.25130400 0.80991400 0.12405800 1.0 Cu Cu8 1 0.74869600 0.30991400 0.37594200 1.0 Cu Cu9 1 0.38175300 0.44058100 0.12338700 1.0 Cu Cu10 1 0.25130400 0.69008600 0.62405800 1.0 Cu Cu11 1 0.61824700 0.55941900 0.87661300 1.0 Ni Ni12 1 0.09879900 0.46221600 0.84026100 1.0 Ni Ni13 1 0.09879900 0.03778400 0.34026100 1.0 Ni Ni14 1 0.60619600 0.09198400 0.13344500 1.0 Ni Ni15 1 0.90120100 0.96221600 0.65973900 1.0 Ni Ni16 1 0.39380400 0.90801600 0.86655500 1.0 Ni Ni17 1 0.39380400 0.59198400 0.36655500 1.0 Ni Ni18 1 0.60619600 0.40801600 0.63344500 1.0 Ni Ni19 1 0.90120100 0.53778400 0.15973900 1.0 O O20 1 0.02023800 0.23766300 0.39608500 1.0 O O21 1 0.65864800 0.02389300 0.58695400 1.0 O O22 1 0.19170600 0.57768700 0.47740300 1.0 O O23 1 0.80829400 0.07768700 0.02259700 1.0 O O24 1 0.02023800 0.26233600 0.89608500 1.0 O O25 1 0.97976200 0.76233600 0.60391500 1.0 O O26 1 0.10176000 0.11219500 0.62252400 1.0 O O27 1 0.51949900 0.88153100 0.14181200 1.0 O O28 1 0.51949900 0.61846900 0.64181200 1.0 O O29 1 0.32566500 0.87438500 0.71125500 1.0 O O30 1 0.67433500 0.37438500 0.78874500 1.0 O O31 1 0.48050100 0.11846900 0.85818800 1.0 O O32 1 0.89824000 0.88780500 0.37747600 1.0 O O33 1 0.85449500 0.52671100 0.30966400 1.0 O O34 1 0.41018300 0.26898700 0.57080500 1.0 O O35 1 0.41018300 0.23101300 0.07080500 1.0 O O36 1 0.14550500 0.02671100 0.19033600 1.0 O O37 1 0.48050100 0.38153100 0.35818800 1.0 O O38 1 0.14550500 0.47328900 0.69033600 1.0 O O39 1 0.80829400 0.42231300 0.52259700 1.0 O O40 1 0.65864800 0.47610700 0.08695400 1.0 O O41 1 0.67433500 0.12561500 0.28874500 1.0 O O42 1 0.97976200 0.73766400 0.10391500 1.0 O O43 1 0.10176000 0.38780500 0.12252400 1.0 O O44 1 0.19170600 0.92231300 0.97740300 1.0 O O45 1 0.58981700 0.76898700 0.92919500 1.0 O O46 1 0.34135200 0.97610700 0.41304600 1.0 O O47 1 0.34135200 0.52389300 0.91304600 1.0 O O48 1 0.89824000 0.61219500 0.87747600 1.0 O O49 1 0.58981700 0.73101300 0.42919500 1.0 O O50 1 0.32566500 0.62561500 0.21125500 1.0 O O51 1 0.85449500 0.97328900 0.80966400 1.0