# generated using pymatgen data_SrNiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49100000 _cell_length_b 5.51572700 _cell_length_c 7.79842000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNiO3 _chemical_formula_sum 'Sr4 Ni4 O12' _cell_volume 236.18963103 _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 0.00087800 0.99466800 0.25000000 1.0 Sr Sr1 1 0.49912200 0.49466800 0.25000000 1.0 Sr Sr2 1 0.50087800 0.50533200 0.75000000 1.0 Sr Sr3 1 0.99912200 0.00533200 0.75000000 1.0 Ni Ni4 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni5 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni6 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni7 1 0.50000000 0.00000000 0.50000000 1.0 O O8 1 0.01204300 0.50675300 0.75000000 1.0 O O9 1 0.23916800 0.23927200 0.49359200 1.0 O O10 1 0.23916800 0.23927200 0.00640800 1.0 O O11 1 0.26083200 0.73927200 0.49359200 1.0 O O12 1 0.26083200 0.73927200 0.00640800 1.0 O O13 1 0.48795700 0.00675300 0.75000000 1.0 O O14 1 0.51204300 0.99324700 0.25000000 1.0 O O15 1 0.73916800 0.26072800 0.99359200 1.0 O O16 1 0.73916800 0.26072800 0.50640800 1.0 O O17 1 0.76083200 0.76072800 0.99359200 1.0 O O18 1 0.76083200 0.76072800 0.50640800 1.0 O O19 1 0.98795700 0.49324700 0.25000000 1.0