# generated using pymatgen data_Sr2NiIrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17168425 _cell_length_b 5.17168425 _cell_length_c 7.94176541 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2NiIrN2 _chemical_formula_sum 'Sr4 Ni2 Ir2 N4' _cell_volume 212.41298296 _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 Sr Sr0 1 0.00000000 0.50000000 0.75000000 1.0 Sr Sr1 1 0.00000000 0.50000000 0.25000000 1.0 Sr Sr2 1 0.50000000 0.00000000 0.25000000 1.0 Sr Sr3 1 0.50000000 0.00000000 0.75000000 1.0 Ni Ni4 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir6 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir7 1 0.50000000 0.50000000 0.00000000 1.0 N N8 1 0.74207776 0.74207776 0.50000000 1.0 N N9 1 0.75792224 0.24207776 0.00000000 1.0 N N10 1 0.25792224 0.25792224 0.50000000 1.0 N N11 1 0.24207776 0.75792224 0.00000000 1.0