data_C:/Work/SAMLAIdsp/ReOptimization/7-2-1/0.340000-0.440000-1.000000/CifFiles/0.769884.cif
_audit_creation_date              Wed Sep  1 00:05:03 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               2.00971705925
_cell_length_b               2.01389598472
_cell_length_c               2.01677798519
_cell_angle_alpha            90
_cell_angle_beta             90
_cell_angle_gamma            105.528583369
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  0.506904131424  0.134746068629  0.276961366723   0   Uiso   1
A2   H  0.0860436843732  0.200899943863  0.276983614037   0   Uiso   1
A3   Na  0.870076874499  0.494458762291  0.276961366723   0   Uiso   1
A4   H  0.791253008356  0.21071372223  0.00301737754559   0   Uiso   1
A5   H  0.11197902764  0.868781044381  0.276961366723   0   Uiso   1
A6   H  0.795807944895  0.931694796571  0.276961480397   0   Uiso   1
A7   H  0.00594493661736  0.000908034909077  0.555614832886   0   Uiso   1
A8   H  0.791253008357  0.21071372223  0.550905355901   0   Uiso   1
A9   Sc  0.400054252855  0.60619967643  0.776961366723   0   Uiso   1
A10   H  0.00594493661745  0.000908034909108  0.998307900561   0   Uiso   1
