# generated using pymatgen data_MgSiNiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29120751 _cell_length_b 6.85296492 _cell_length_c 8.46574875 _cell_angle_alpha 90.77145015 _cell_angle_beta 143.50532237 _cell_angle_gamma 74.48603172 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSiNiO5 _chemical_formula_sum 'Mg2 Si2 Ni2 O10' _cell_volume 164.67899958 _cell_formula_units_Z 2 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 0.48649800 0.25036000 0.16092100 1.0 Mg Mg1 1 0.49706400 0.74302500 0.83082300 1.0 Si Si2 1 0.49697700 0.24254900 0.82194500 1.0 Si Si3 1 0.49394700 0.74273900 0.17277700 1.0 Ni Ni4 1 0.49479200 0.49237700 0.49699100 1.0 Ni Ni5 1 0.49476100 0.99234800 0.49726600 1.0 O O6 1 0.23751000 0.12359600 0.58528800 1.0 O O7 1 0.74076500 0.36730500 0.84105600 1.0 O O8 1 0.75447700 0.85987400 0.41133100 1.0 O O9 1 0.25174600 0.61593000 0.15328300 1.0 O O10 1 0.85580700 0.57742000 0.21954500 1.0 O O11 1 0.12760100 0.91716500 0.86310700 1.0 O O12 1 0.13333000 0.40891500 0.77333000 1.0 O O13 1 0.86188800 0.06856600 0.13201100 1.0 O O14 1 0.49972500 0.74273100 0.58940000 1.0 O O15 1 0.48994100 0.24187300 0.40496700 1.0