# generated using pymatgen data_Zn2Ni3O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21485767 _cell_length_b 5.21485767 _cell_length_c 6.73247299 _cell_angle_alpha 50.04836320 _cell_angle_beta 50.04836320 _cell_angle_gamma 48.22385114 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2Ni3O5 _chemical_formula_sum 'Zn2 Ni3 O5' _cell_volume 97.03397016 _cell_formula_units_Z 1 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 0.59911400 0.59911400 0.20029400 1.0 Zn Zn1 1 0.40088600 0.40088600 0.79970600 1.0 Ni Ni2 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.79942700 0.79942700 0.59954600 1.0 Ni Ni4 1 0.20057300 0.20057300 0.40045400 1.0 O O5 1 0.09441500 0.09441500 0.20727100 1.0 O O6 1 0.50000000 0.50000000 0.00000000 1.0 O O7 1 0.29360800 0.29360800 0.60597700 1.0 O O8 1 0.90558500 0.90558500 0.79272900 1.0 O O9 1 0.70639200 0.70639200 0.39402300 1.0