data_C:/Work/SAMLAIdsp/ReOptimization/2-2-1/0.550000-0.700000-1.000000/CifFiles/0.765994.cif
_audit_creation_date              Tue Apr 27 16:34:34 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               2.0051009716
_cell_length_b               2.0051009716
_cell_length_c               3.09027264927
_cell_angle_alpha            108.930522544
_cell_angle_beta             108.930522544
_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  0.508787935193  0.501906926836  0.00551351122868   0   Uiso   1
A2   Sc  0.258787935193  0.751906926837  0.505513511229   0   Uiso   1
A3   H  0.644737331148  0.137856322792  0.27741230314   0   Uiso   1
A4   H  0.872838539237  0.365957530881  0.733614719317   0   Uiso   1
A5   Na  0.00878793519255  0.00190692683656  0.00551351122861   0   Uiso   1
