# generated using pymatgen data_Mg2Ni9O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10193566 _cell_length_b 5.10193566 _cell_length_c 16.19677046 _cell_angle_alpha 81.40299760 _cell_angle_beta 81.40299760 _cell_angle_gamma 33.26692680 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Ni9O13 _chemical_formula_sum 'Mg2 Ni9 O13' _cell_volume 228.43161774 _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 Mg Mg0 1 0.78359000 0.78359000 0.22878200 1.0 Mg Mg1 1 0.21641000 0.21641000 0.77121800 1.0 Ni Ni2 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni3 1 0.35229800 0.35229800 0.04095700 1.0 Ni Ni4 1 0.64770200 0.64770200 0.95904300 1.0 Ni Ni5 1 0.24858300 0.24858300 0.41831000 1.0 Ni Ni6 1 0.75141700 0.75141700 0.58169000 1.0 Ni Ni7 1 0.06155800 0.06155800 0.12409800 1.0 Ni Ni8 1 0.93844200 0.93844200 0.87590200 1.0 Ni Ni9 1 0.00405500 0.00405500 0.33291300 1.0 Ni Ni10 1 0.99594500 0.99594500 0.66708700 1.0 O O11 1 0.00000000 0.00000000 0.00000000 1.0 O O12 1 0.13578100 0.13578100 0.22846400 1.0 O O13 1 0.86421900 0.86421900 0.77153600 1.0 O O14 1 0.70424200 0.70424200 0.07156900 1.0 O O15 1 0.29575800 0.29575800 0.92843100 1.0 O O16 1 0.41394200 0.41394200 0.14836000 1.0 O O17 1 0.58605800 0.58605800 0.85164000 1.0 O O18 1 0.36926600 0.36926600 0.30928900 1.0 O O19 1 0.63073400 0.63073400 0.69071100 1.0 O O20 1 0.61628300 0.61628300 0.38750100 1.0 O O21 1 0.38371700 0.38371700 0.61249900 1.0 O O22 1 0.87116600 0.87116600 0.46241100 1.0 O O23 1 0.12883400 0.12883400 0.53758900 1.0