data_C:/Work/SAMLAIdsp/ReOptimization/4-2-2/0.480000-0.680000-1.000000/CifFiles/0.761453.cif
_audit_creation_date              Thu Sep  2 02:02:06 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               2.69883900284
_cell_length_c               3.13130838247
_cell_angle_alpha            91.6258313016
_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   Sc  0.523189388367  0.214147791893  0.695121501469   0   Uiso   1
A2   Sc  0.0231893883668  0.488732305724  0.201836126132   0   Uiso   1
A3   H  0.0231893883668  0.985254141163  0.00180106618303   0   Uiso   1
A4   Na  0.523189388367  0.988329487718  0.189599394146   0   Uiso   1
A5   H  0.523189388367  0.717625956453  0.895156561417   0   Uiso   1
A6   H  0.52317561723  0.708046377977  0.500069327773   0   Uiso   1
A7   Na  0.0231893883667  0.714550609898  0.707358233455   0   Uiso   1
A8   H  0.0231749073335  0.99481081373  0.396885450278   0   Uiso   1
