data_C:/Work/SAMLAIdsp/ReOptimization/4-2-2/0.300000-0.470000-1.000000/CifFiles/0.771288.cif
_audit_creation_date              Thu Oct  7 01:29:57 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               2.03835870595
_cell_length_b               2
_cell_length_c               3.145685131
_cell_angle_alpha            90
_cell_angle_beta             101.286716063
_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  0.462334795338  0.499873995566  0.88150145424   0   Uiso   1
A2   H  0.251837771197  0.851174928134  0.18423163713   0   Uiso   1
A3   H  0.0328765735566  0.651156948924  0.12732840814   0   Uiso   1
A4   Sc  0.825214265105  0.999873995566  0.427522901542   0   Uiso   1
A5   H  0.254623409622  0.151128751732  0.181744975497   0   Uiso   1
A6   Na  0.290990969984  0.499873995566  0.314216440715   0   Uiso   1
A7   H  0.0357473116908  0.351206144516  0.124759385196   0   Uiso   1
A8   Na  0.996558090459  0.999873995566  0.994807915067   0   Uiso   1
