# generated using pymatgen data_Zn(NiO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88516352 _cell_length_b 5.88187845 _cell_length_c 17.57691382 _cell_angle_alpha 59.90601108 _cell_angle_beta 60.52383363 _cell_angle_gamma 60.00482207 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn(NiO2)2 _chemical_formula_sum 'Zn6 Ni12 O24' _cell_volume 431.61457410 _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 0.13957000 0.11829600 0.04129000 1.0 Zn Zn1 1 0.50049800 0.50202600 0.33185100 1.0 Zn Zn2 1 0.99973800 0.50016400 0.16654800 1.0 Zn Zn3 1 0.49938900 0.49809100 0.66807700 1.0 Zn Zn4 1 0.99986200 0.50017700 0.49993600 1.0 Zn Zn5 1 0.99919200 0.49994300 0.83367400 1.0 Ni Ni6 1 0.50269600 0.00414700 0.16492600 1.0 Ni Ni7 1 0.12913400 0.11926400 0.37743600 1.0 Ni Ni8 1 0.49918100 0.49959400 0.00058000 1.0 Ni Ni9 1 0.50276600 0.49828800 0.16489800 1.0 Ni Ni10 1 0.49987100 0.99987000 0.50006700 1.0 Ni Ni11 1 0.13101900 0.12042100 0.70926400 1.0 Ni Ni12 1 0.49989200 0.50004800 0.50005900 1.0 Ni Ni13 1 0.49788600 0.99609500 0.83481100 1.0 Ni Ni14 1 0.86994600 0.88045400 0.28971200 1.0 Ni Ni15 1 0.49781600 0.50175500 0.83484700 1.0 Ni Ni16 1 0.86992300 0.87978900 0.62350900 1.0 Ni Ni17 1 0.86231200 0.88143900 0.95815300 1.0 O O18 1 0.28193300 0.25665400 0.08497900 1.0 O O19 1 0.28189600 0.24739000 0.24106000 1.0 O O20 1 0.28215400 0.70603400 0.08478700 1.0 O O21 1 0.73003100 0.25432400 0.08713400 1.0 O O22 1 0.26779000 0.24653900 0.42313300 1.0 O O23 1 0.26362200 0.75847600 0.23964200 1.0 O O24 1 0.27083100 0.24502600 0.57971800 1.0 O O25 1 0.73081400 0.27990100 0.24325100 1.0 O O26 1 0.26764300 0.71632200 0.42307100 1.0 O O27 1 0.71799200 0.75062700 0.09363500 1.0 O O28 1 0.72382600 0.24771200 0.42689000 1.0 O O29 1 0.73093400 0.75961500 0.24316900 1.0 O O30 1 0.26814300 0.24096300 0.75531400 1.0 O O31 1 0.27616500 0.75245900 0.57295700 1.0 O O32 1 0.73216100 0.28316000 0.57704000 1.0 O O33 1 0.26808100 0.72487500 0.75523200 1.0 O O34 1 0.28059900 0.25376700 0.90397400 1.0 O O35 1 0.72742000 0.75491400 0.42091300 1.0 O O36 1 0.74673600 0.24164400 0.75662900 1.0 O O37 1 0.73202900 0.75373600 0.57700600 1.0 O O38 1 0.26967400 0.74214400 0.91577900 1.0 O O39 1 0.71556400 0.28891100 0.91726500 1.0 O O40 1 0.71798200 0.75009900 0.76069700 1.0 O O41 1 0.71528700 0.74484300 0.91709000 1.0