data_C:/Work/SAMLAIdsp/ReOptimization/8-1-1/0.200000-0.350000-1.000000/CifFiles/0.807440.cif
_audit_creation_date              Thu Apr 15 00:33:23 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
_cell_length_c               2
_cell_angle_alpha            62.1285320974
_cell_angle_beta             60
_cell_angle_gamma            60
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  0.0477151587181  0.365941234118  0.997989155054   0   Uiso   1
A2   Sc  0.627290950066  0.600473271739  0.605623155175   0   Uiso   1
A3   H  0.204853674819  0.208026855852  0.842252678583   0   Uiso   1
A4   H  0.798308817422  0.201486519165  0.206636402602   0   Uiso   1
A5   Na  0.127290950066  0.0398721431073  0.166224283807   0   Uiso   1
A6   H  0.45627308271  0.999460024313  0.00460990774904   0   Uiso   1
A7   H  0.254246587858  0.201486519166  0.206636402602   0   Uiso   1
A8   H  0.399015823963  0.331627306014  0.33301624253   0   Uiso   1
A9   H  0.855212708709  0.868798154008  0.875749575545   0   Uiso   1
A10   H  0.000335312274673  0.999460024313  0.00460990774895   0   Uiso   1
