data_C:/Work/SAMLAIdsp/ReOptimization/4-3-1/0.310000-0.480000-1.000000/CifFiles/0.775723.cif
_audit_creation_date              Tue Aug 31 22:37:56 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               2.06581952918
_cell_length_b               2.06581952918
_cell_length_c               2.11990322252
_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  0.668840680103  0.331678315602  0.000119997032663   0   Uiso   1
A2   Sc  0.33550734677  0.665011648935  0.744535333951   0   Uiso   1
A3   H  0.00217401343664  0.998344982268  0.000119997032752   0   Uiso   1
A4   Na  0.33550734677  0.165011648935  0.244535333951   0   Uiso   1
A5   H  0.668840680103  0.331678315602  0.48895067087   0   Uiso   1
A6   Na  0.83550734677  0.165011648935  0.244535333951   0   Uiso   1
A7   H  0.00217401343665  0.998344982268  0.48895067087   0   Uiso   1
A8   Na  0.83550734677  0.665011648935  0.244535333951   0   Uiso   1
