# generated using pymatgen data_SrNiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50222022 _cell_length_b 5.50366858 _cell_length_c 9.62703861 _cell_angle_alpha 89.82133471 _cell_angle_beta 106.49647707 _cell_angle_gamma 60.04581282 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNiO3 _chemical_formula_sum 'Sr4 Ni4 O12' _cell_volume 238.47903103 _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 Sr Sr0 1 0.75002000 0.37499600 0.37496500 1.0 Sr Sr1 1 0.24956900 0.62511900 0.62462800 1.0 Sr Sr2 1 0.75006900 0.87497400 0.87506900 1.0 Sr Sr3 1 0.25042900 0.12487800 0.12538600 1.0 Ni Ni4 1 0.00126500 0.74938600 0.25191900 1.0 Ni Ni5 1 0.49880000 0.00057900 0.49814500 1.0 Ni Ni6 1 0.00384800 0.24851400 0.75589200 1.0 Ni Ni7 1 0.49605800 0.50152700 0.99401500 1.0 O O8 1 0.24999500 0.87500700 0.37502300 1.0 O O9 1 0.74500800 0.12473600 0.61837500 1.0 O O10 1 0.24995000 0.37502800 0.87498700 1.0 O O11 1 0.75507000 0.62528600 0.13161400 1.0 O O12 1 0.74341500 0.62902400 0.61770200 1.0 O O13 1 0.24995000 0.87501600 0.87498600 1.0 O O14 1 0.75666400 0.12089200 0.13229400 1.0 O O15 1 0.24997300 0.37500800 0.37501900 1.0 O O16 1 0.74997100 0.87500900 0.37498100 1.0 O O17 1 0.24832200 0.12564400 0.61781200 1.0 O O18 1 0.74992800 0.37503300 0.87496900 1.0 O O19 1 0.25169600 0.62434600 0.13221700 1.0