data_C:/Work/SAMLAIdsp/ReOptimization/4-3-1/0.300000-0.470000-1.000000/CifFiles/0.783962.cif
_audit_creation_date              Mon Oct 25 21:07:58 2021

_audit_creation_method            'SAMLAI'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a               2.12789939859
_cell_length_b               2.0287050425
_cell_length_c               2.0287050425
_cell_angle_alpha            120
_cell_angle_beta             90
_cell_angle_gamma            90
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
A1   Na  0.784460468689  0.843717539929  0.504799244722   0   Uiso   1
A2   H  0.0194009219788  0.0103842065955  0.838132578056   0   Uiso   1
A3   Na  0.784460468689  0.343717539929  0.0047992447222   0   Uiso   1
A4   H  0.0194009219788  0.677050873262  0.171465911389   0   Uiso   1
A5   H  0.549520015398  0.677050873262  0.171465911389   0   Uiso   1
A6   Sc  0.284460468688  0.343717539929  0.504799244722   0   Uiso   1
A7   H  0.549520015398  0.0103842065957  0.838132578056   0   Uiso   1
A8   Na  0.784460468688  0.843717539929  0.00479924472229   0   Uiso   1
