data_OPT_STEP_13

_cell_length_a           2.72497944
_cell_length_b           2.72497944
_cell_length_c          50.00000000
_cell_angle_alpha       90.00000000
_cell_angle_beta        90.00000000
_cell_angle_gamma       90.00000000

_symmetry_cell_setting               'triclinic'
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number        1

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg  MG1    -0.50000000   -0.50000000    0.03887804
O   O2     -0.00000000   -0.00000000    0.03989401
Mg  MG3    -0.00000000   -0.00000000    0.00000000
O   O4     -0.50000000   -0.50000000    0.00000000
Mg  MG5    -0.50000000   -0.50000000   -0.03887804
O   O6     -0.00000000    0.00000000   -0.03989401
