data_C:/Work/SAMLAIdsp/ReOptimization/4-3-1/0.300000-0.500000-1.000000/CifFiles/0.786907.cif
_audit_creation_date              Mon Apr 12 00:36:33 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               2.03248852943
_cell_length_b               2.03248852943
_cell_length_c               2.20657888546
_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   H  0.171874471441  0.337412039717  0.24775620985   0   Uiso   1
A2   Na  0.00520780477389  0.504078706384  0.00129854472847   0   Uiso   1
A3   H  0.838541138107  0.67074537305  0.24775620985   0   Uiso   1
A4   H  0.171874471441  0.337412039717  0.754840879607   0   Uiso   1
A5   Na  0.505207804774  0.504078706384  0.00129854472843   0   Uiso   1
A6   Sc  0.505207804774  0.00407870638366  0.501298544728   0   Uiso   1
A7   Na  0.00520780477385  0.0040787063837  0.00129854472847   0   Uiso   1
A8   H  0.838541138107  0.67074537305  0.754840879607   0   Uiso   1
