lattice_vector 4.81050100 0.00000000 0.00000000 lattice_vector 0.00000000 4.81050100 0.00000000 lattice_vector 0.00000000 0.00000000 4.81050100 atom 0.000000 0.000000 0.000000 Ca atom 0.500000 0.500000 0.500000 O