data_C:/Work/SAMLAIdsp/ReOptimization/2-1-1/0.200000-0.400000-1.000000/CifFiles/0.799719.cif
_audit_creation_date              Thu Apr  8 00:27:00 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            60
_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   Na  0.997299594434  0.00331338593159  0.993249584499   0   Uiso   1
A2   H  0.24723349697  0.253616601243  0.243858380181   0   Uiso   1
A3   H  0.750178731702  0.75238765284  0.747364037031   0   Uiso   1
A4   Sc  0.499857757889  0.503104195268  0.494992118388   0   Uiso   1
