data_C:/Work/SAMLAIdsp/ReOptimization/5-4-3/0.350000-0.450000-1.000000/CifFiles/0.767860.cif
_audit_creation_date              Tue Apr 27 20:48:57 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               2.09492526193
_cell_length_b               3.23853706443
_cell_length_c               3.46410161514
_cell_angle_alpha            117.868415319
_cell_angle_beta             107.600392228
_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  0.177108469089  0.186107565205  0.362037093258   0   Uiso   1
A2   H  0.849042027612  0.44866356854  0.185348650127   0   Uiso   1
A3   H  0.849042022643  0.211431174568  0.185348647967   0   Uiso   1
A4   Na  0.997196536232  0.00154946688396  0.00190989425559   0   Uiso   1
A5   Na  0.177215427763  0.650768514991  0.362070643706   0   Uiso   1
A6   Na  0.997196536233  0.475106520038  0.00190989425713   0   Uiso   1
A7   H  0.0368158764643  0.277947332555  0.0811485724441   0   Uiso   1
A8   Sc  0.588915912268  0.830047369497  0.185348646328   0   Uiso   1
A9   H  0.328789807276  0.211431174799  0.185348646309   0   Uiso   1
A10   Sc  0.792880076684  0.534011533913  0.593276975159   0   Uiso   1
A11   Sc  0.384951747853  0.126083205082  0.777420317497   0   Uiso   1
A12   H  0.328789806639  0.448663564688  0.18534864676   0   Uiso   1
