# generated using pymatgen data_Zn(NiO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99807900 _cell_length_b 5.71705900 _cell_length_c 10.06749700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn(NiO2)2 _chemical_formula_sum 'Zn4 Ni8 O16' _cell_volume 287.67180567 _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 0.83985700 0.00000000 0.50000000 1.0 Zn Zn1 1 0.16014300 0.50000000 0.00000000 1.0 Zn Zn2 1 0.51752200 0.00000000 0.00000000 1.0 Zn Zn3 1 0.48247800 0.50000000 0.50000000 1.0 Ni Ni4 1 0.51084600 0.50000000 0.23560500 1.0 Ni Ni5 1 0.51084600 0.50000000 0.76439500 1.0 Ni Ni6 1 0.48915400 0.00000000 0.26439500 1.0 Ni Ni7 1 0.48915400 0.00000000 0.73560500 1.0 Ni Ni8 1 0.00000000 0.25000000 0.25000000 1.0 Ni Ni9 1 0.00000000 0.75000000 0.75000000 1.0 Ni Ni10 1 0.00000000 0.75000000 0.25000000 1.0 Ni Ni11 1 0.00000000 0.25000000 0.75000000 1.0 O O12 1 0.86485400 0.50000000 0.14798500 1.0 O O13 1 0.86485400 0.50000000 0.85201500 1.0 O O14 1 0.13514600 0.00000000 0.35201500 1.0 O O15 1 0.13514600 0.00000000 0.64798500 1.0 O O16 1 0.19308300 0.50000000 0.34727000 1.0 O O17 1 0.19308300 0.50000000 0.65273000 1.0 O O18 1 0.80691700 0.00000000 0.15273000 1.0 O O19 1 0.80691700 0.00000000 0.84727000 1.0 O O20 1 0.66973400 0.25101000 0.36534500 1.0 O O21 1 0.66973400 0.74899000 0.63465500 1.0 O O22 1 0.33026600 0.75101000 0.13465500 1.0 O O23 1 0.33026600 0.24899000 0.86534500 1.0 O O24 1 0.33026600 0.24899000 0.13465500 1.0 O O25 1 0.33026600 0.75101000 0.86534500 1.0 O O26 1 0.66973400 0.74899000 0.36534500 1.0 O O27 1 0.66973400 0.25101000 0.63465500 1.0