data_C:/Work/SAMLAIdsp/ReOptimization/2-2-2/0.300000-0.460000-1.000000/CifFiles/0.765710.cif
_audit_creation_date              Mon Oct 25 21:01:48 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
_cell_length_b               2.11831404526
_cell_length_c               2.91640470989
_cell_angle_alpha            90
_cell_angle_beta             95.3806217854
_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   H  0.00278405795574  0.992174299265  0.998913578869   0   Uiso   1
A2   Sc  0.106442624889  0.492174299265  0.756995431967   0   Uiso   1
A3   Na  0.611101388407  0.992174299265  0.791066171952   0   Uiso   1
A4   Sc  0.541902693535  0.992174299265  0.284998256944   0   Uiso   1
A5   Na  0.0372439300167  0.492174299265  0.250927516959   0   Uiso   1
A6   H  0.645561260468  0.492174299265  0.0430801100423   0   Uiso   1
