data_C:/Work/SAMLAIdsp/ReOptimization/4-2-2/0.480000-0.700000-1.000000/CifFiles/0.758173.cif
_audit_creation_date              Thu Sep  2 02:11:33 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               3.14381899663
_cell_angle_alpha            90.9139528838
_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   Sc  0.521139137318  0.219891558292  0.696770244111   0   Uiso   1
A2   Sc  0.0211391373179  0.484509149061  0.200461291123   0   Uiso   1
A3   H  0.0211391373178  0.996554311683  0.994685492476   0   Uiso   1
A4   Na  0.521139137318  0.984381902507  0.19348521227   0   Uiso   1
A5   H  0.521139137318  0.707846395671  0.902546042757   0   Uiso   1
A6   H  0.520911513463  0.710969736653  0.493167700258   0   Uiso   1
A7   Na  0.0211391373179  0.720018804846  0.703746322963   0   Uiso   1
A8   H  0.0211229855127  0.992898416837  0.402342454173   0   Uiso   1
