data_C:/Work/SAMLAIdsp/ReOptimization/4-2-2/0.480000-0.700000-1.000000/CifFiles/0.758173.cif
_audit_creation_date              Thu Sep  2 02:09:00 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               2.74919561356
_cell_length_c               3.39956744428
_cell_angle_alpha            112.383964856
_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   H  0.496796624865  0.926363857273  0.801271381085   0   Uiso   1
A2   Na  0.496796624865  0.518132099831  0.510332211572   0   Uiso   1
A3   H  0.495680015076  0.110142899625  0.208779192627   0   Uiso   1
A4   Na  0.996796624865  0.0041799421253  7.11008789792e-05   0   Uiso   1
A5   H  0.994325207251  0.413304061851  0.301414940038   0   Uiso   1
A6   H  0.996796624865  0.595948184683  0.709131931366   0   Uiso   1
A7   Sc  0.996796624865  0.0148470679899  0.50335613272   0   Uiso   1
A8   Sc  0.496796624865  0.507464973966  0.00704717973155   0   Uiso   1
