data_C:/Work/SAMLAIdsp/ReOptimization/4-2-2/0.480000-0.720000-1.000000/CifFiles/0.756223.cif
_audit_creation_date              Thu Sep  2 02:17:20 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               2.798820247
_cell_length_c               3.43995493908
_cell_angle_alpha            113.463775849
_cell_angle_beta             90
_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   H  0.499125187917  0.935147617038  0.795823659507   0   Uiso   1
A2   Na  0.498986137972  0.510908144617  0.505603517226   0   Uiso   1
A3   H  0.498986137972  0.0898554345097  0.217749112434   0   Uiso   1
A4   Na  0.998986137972  0.0154480339991  0.00898432537298   0   Uiso   1
A5   H  0.998986137972  0.436500744107  0.296838730165   0   Uiso   1
A6   H  0.999095348005  0.591308395085  0.718664823957   0   Uiso   1
A7   Sc  0.998986137972  0.0120190080732  0.507873461917   0   Uiso   1
A8   Sc  0.498986137972  0.514337170543  0.00671438068211   0   Uiso   1
