# generated using pymatgen data_Zn(NiO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86648800 _cell_length_b 5.87357957 _cell_length_c 14.38393634 _cell_angle_alpha 88.85557797 _cell_angle_beta 89.16525442 _cell_angle_gamma 60.81655462 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn(NiO2)2 _chemical_formula_sum 'Zn6 Ni12 O24' _cell_volume 432.62448210 _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 0.15904000 0.17560600 0.04444700 1.0 Zn Zn1 1 0.50073000 0.49922900 0.37862700 1.0 Zn Zn2 1 0.50319500 0.49897600 0.99894000 1.0 Zn Zn3 1 0.81917900 0.84920500 0.70938800 1.0 Zn Zn4 1 0.16310900 0.16519200 0.28845400 1.0 Zn Zn5 1 0.50982100 0.49456700 0.62415600 1.0 Ni Ni6 1 0.16577300 0.66634300 0.16682100 1.0 Ni Ni7 1 0.66476900 0.66710700 0.16695400 1.0 Ni Ni8 1 0.50182800 0.99575900 0.50143000 1.0 Ni Ni9 1 0.66522000 0.16554500 0.16803100 1.0 Ni Ni10 1 0.83146400 0.83038700 0.33542100 1.0 Ni Ni11 1 0.00391300 0.99550300 0.50006700 1.0 Ni Ni12 1 0.83481400 0.33775500 0.83200500 1.0 Ni Ni13 1 0.00335300 0.49724700 0.50020400 1.0 Ni Ni14 1 0.33152300 0.83514700 0.83282400 1.0 Ni Ni15 1 0.16392300 0.17494200 0.66583000 1.0 Ni Ni16 1 0.33024900 0.33689000 0.83203900 1.0 Ni Ni17 1 0.84250400 0.82118600 0.95489500 1.0 O O18 1 0.34863600 0.34548400 0.09624200 1.0 O O19 1 0.50578900 0.51122100 0.24165200 1.0 O O20 1 0.34552200 0.81030800 0.09122100 1.0 O O21 1 0.80198500 0.35139500 0.09496600 1.0 O O22 1 0.53271700 0.97915000 0.24371000 1.0 O O23 1 0.66468200 0.69521500 0.42735600 1.0 O O24 1 0.97935300 0.53242700 0.24321500 1.0 O O25 1 0.82531300 0.82038100 0.08986400 1.0 O O26 1 0.68995200 0.13328000 0.42607500 1.0 O O27 1 0.85363000 0.82339700 0.57254400 1.0 O O28 1 0.98178000 0.98042000 0.24002500 1.0 O O29 1 0.13589600 0.66245500 0.42032000 1.0 O O30 1 0.87631500 0.32678300 0.58153200 1.0 O O31 1 0.99723600 0.04454600 0.75220500 1.0 O O32 1 0.31451700 0.85899800 0.57613400 1.0 O O33 1 0.15244900 0.17075700 0.42732000 1.0 O O34 1 0.14796500 0.17734300 0.90545300 1.0 O O35 1 0.00198600 0.48338100 0.75764400 1.0 O O36 1 0.33679400 0.29696200 0.57853300 1.0 O O37 1 0.45111500 0.04330300 0.75048200 1.0 O O38 1 0.19540300 0.63218300 0.90949600 1.0 O O39 1 0.52039400 0.49317500 0.76179300 1.0 O O40 1 0.66949500 0.18570300 0.90449800 1.0 O O41 1 0.67667000 0.63515000 0.90718500 1.0