data_C:/Work/SAMLAIdsp/ReOptimization/4-2-2/0.480000-0.720000-1.000000/CifFiles/0.756223.cif
_audit_creation_date              Thu Sep  2 02:32:33 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               2.79882043113
_cell_length_c               3.15555325416
_cell_angle_alpha            90.2925267821
_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  0.522982322305  0.223428640351  0.699150215415   0   Uiso   1
A2   Sc  0.0229823223053  0.478745753083  0.200306382393   0   Uiso   1
A3   H  0.0230046688048  0.0052971101197  0.989256762065   0   Uiso   1
A4   Na  0.522982322305  0.978732719508  0.198042144984   0   Uiso   1
A5   H  0.522966549552  0.696877283727  0.91019983525   0   Uiso   1
A6   H  0.52290413572  0.703082363995  0.490024062067   0   Uiso   1
A7   Na  0.0229823223053  0.723441673926  0.701414452824   0   Uiso   1
A8   H  0.0230796778272  0.999295456755  0.409653637534   0   Uiso   1
