data_data_OPT_STEP_11

_cell_length_a           5.0651
_cell_length_b           5.0651
_cell_length_c           5.0651
_cell_angle_alpha       90.0000
_cell_angle_beta        90.0000
_cell_angle_gamma       90.0000
_cell_volume             129.95


_symmetry_cell_setting                   'cubic'
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_H-M  'Fm-3m   '

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na   NA1       0.00000     0.00000     0.00000     1.00000
Cl   CL2       0.50000     0.50000     0.50000     1.00000
