data_C:/Work/SAMLAIdsp/ReOptimization/2-2-2/0.290000-0.460000-1.000000/CifFiles/0.765235.cif
_audit_creation_date              Mon Oct 25 19:16:17 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               2.11988237759
_cell_length_c               2.90820976802
_cell_angle_alpha            90
_cell_angle_beta             95.1505501356
_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   Na  0.597301465724  0.996419843688  0.780719553776   0   Uiso   1
A2   Na  0.0274391275745  0.496419843688  0.245537585442   0   Uiso   1
A3   Sc  0.531501465724  0.996419843688  0.276657215626   0   Uiso   1
A4   H  0.630554293873  0.495601063061  0.0349464260005   0   Uiso   1
A5   H  0.994505179016  0.995615525159  0.991133944401   0   Uiso   1
A6   Sc  0.0932391275744  0.496419843688  0.749599923592   0   Uiso   1
