# generated using pymatgen data_SrZrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84404202 _cell_length_b 5.84404243 _cell_length_c 5.84404460 _cell_angle_alpha 120.84016562 _cell_angle_beta 120.84016029 _cell_angle_gamma 88.55086966 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrZrO3 _chemical_formula_sum 'Sr2 Zr2 O6' _cell_volume 139.29130397 _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 0.24999994 0.74999997 0.50000000 1.0 Sr Sr1 1 0.75000000 0.25000017 0.50000019 1.0 Zr Zr2 1 0.49999988 0.50000010 -0.00000011 1.0 Zr Zr3 1 0.00000019 0.00000001 0.00000015 1.0 O O4 1 0.69176784 0.19176783 0.88353609 1.0 O O5 1 0.19176820 0.30823169 0.49999990 1.0 O O6 1 0.80823182 0.69176825 0.49999999 1.0 O O7 1 0.30823220 0.80823210 0.11646381 1.0 O O8 1 0.75000025 0.74999964 -0.00000002 1.0 O O9 1 0.24999967 0.25000024 -0.00000001 1.0