# generated using pymatgen data_MgNi9O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94463733 _cell_length_b 5.15682776 _cell_length_c 16.25910672 _cell_angle_alpha 98.70820945 _cell_angle_beta 89.93576536 _cell_angle_gamma 106.68881891 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgNi9O13 _chemical_formula_sum 'Mg1 Ni9 O13' _cell_volume 233.53448329 _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 0.43080400 0.87164400 0.31254500 1.0 Ni Ni1 1 0.50098900 0.99899600 0.51844500 1.0 Ni Ni2 1 0.64158100 0.28553600 0.04078500 1.0 Ni Ni3 1 0.34617300 0.69275100 0.95256800 1.0 Ni Ni4 1 0.74367900 0.48487300 0.43541100 1.0 Ni Ni5 1 0.25091400 0.49841000 0.60384900 1.0 Ni Ni6 1 0.91853200 0.84008600 0.11795000 1.0 Ni Ni7 1 0.05920300 0.11732900 0.87917400 1.0 Ni Ni8 1 0.11989200 0.24357700 0.23661200 1.0 Ni Ni9 1 0.00282700 0.00014500 0.67892800 1.0 O O10 1 0.99454400 0.98997600 0.99202300 1.0 O O11 1 0.90391400 0.81710100 0.23729800 1.0 O O12 1 0.12080900 0.23872000 0.77759400 1.0 O O13 1 0.28952800 0.58170500 0.06531500 1.0 O O14 1 0.69441700 0.38918800 0.92564400 1.0 O O15 1 0.57781000 0.15958000 0.14934300 1.0 O O16 1 0.43361300 0.86540200 0.85235100 1.0 O O17 1 0.64291000 0.28894300 0.31737100 1.0 O O18 1 0.39158100 0.77534100 0.70588600 1.0 O O19 1 0.36990500 0.73612400 0.41740100 1.0 O O20 1 0.61324800 0.22620700 0.63037600 1.0 O O21 1 0.13388100 0.26443200 0.48833200 1.0 O O22 1 0.88174600 0.75893400 0.56896500 1.0