data_C:/Work/SAMLAIdsp/ReOptimization/2-2-2/0.310000-0.470000-1.000000/CifFiles/0.762437.cif
_audit_creation_date              Tue Aug 31 22:23:05 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               2.14375318702
_cell_length_c               2.92254524736
_cell_angle_alpha            90
_cell_angle_beta             96.2464880776
_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  0.99862598279  0.00221698383985  0.00163241772425   0   Uiso   1
A2   Sc  0.545039965591  0.002579660567  0.295476527545   0   Uiso   1
A3   Na  0.625489965591  0.00257966056705  0.801466811686   0   Uiso   1
A4   H  0.666048750294  0.502443598856  0.0574532726827   0   Uiso   1
A5   Sc  0.119499681451  0.502579660567  0.763790918901   0   Uiso   1
A6   Na  0.0390496814506  0.502579660567  0.25780063476   0   Uiso   1
