data_C:/Work/SAMLAIdsp/ReOptimization/4-2-1/0.200000-0.600000-1.000000/CifFiles/0.774420.cif
_audit_creation_date              Sat Apr 10 00:38:04 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               2.07846096908
_cell_length_b               2.07846096908
_cell_length_c               2.11660104885
_cell_angle_alpha            90
_cell_angle_beta             90
_cell_angle_gamma            120
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  0.668805618866  0.322523365874  0.0190924079352   0   Uiso   1
A2   H  0.671452781798  0.326336845562  0.246362691702   0   Uiso   1
A3   Na  0.671646861149  0.326680052478  0.630065893014   0   Uiso   1
A4   Na  0.00498019448278  0.993346719144  0.630065893014   0   Uiso   1
A5   Sc  0.338313527816  0.660013385811  0.130065893014   0   Uiso   1
A6   H  0.00365338390144  0.991723403182  0.0222439072574   0   Uiso   1
A7   H  0.00310402318211  0.994652867215  0.247512599173   0   Uiso   1
