data_C:/Work/SAMLAIdsp/ReOptimization/4-3-1/0.300000-0.450000-1.000000/CifFiles/0.784757.cif
_audit_creation_date              Mon Apr 12 00:44:08 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               2.02534245893
_cell_length_b               2.02534245893
_cell_length_c               2.0755693012
_cell_angle_alpha            90
_cell_angle_beta             90
_cell_angle_gamma            120
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  0.669671540811  0.332887539816  0.727013999005   0   Uiso   1
A2   H  0.336338207478  0.66622087315  0.453337753199   0   Uiso   1
A3   Na  0.169671540811  0.332887539816  0.227013999005   0   Uiso   1
A4   H  0.00300487414449  0.999554206483  0.000690244810945   0   Uiso   1
A5   H  0.336338207478  0.66622087315  0.000690244810919   0   Uiso   1
A6   Na  0.669671540811  0.832887539816  0.227013999005   0   Uiso   1
A7   Na  0.169671540811  0.832887539816  0.227013999005   0   Uiso   1
A8   H  0.0030048741444  0.999554206483  0.453337753199   0   Uiso   1
