data_/home/k0566/k056601/DTSPs/029/DensestPackings/0.290000-0.460000-1.000000/4-3-1/CifFiles/0.789793.cif
_audit_creation_date              Tue Oct 19 04:43:37 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               2.1274682126
_cell_length_c               2
_cell_angle_alpha            90
_cell_angle_beta             120
_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   Sc  0.520797774029  0.76727911455  0.863456651278   0   Uiso   1
A2   H  0.187464440695  0.4969469085  0.196789984611   0   Uiso   1
A3   Na  0.0232087056299  0.26727911455  0.86827851448   0   Uiso   1
A4   H  0.187464440695  0.0376113205996  0.196789984611   0   Uiso   1
A5   H  0.855065524125  0.492328887853  0.52817770411   0   Uiso   1
A6   Na  0.515975910826  0.26727911455  0.361045719676   0   Uiso   1
A7   Na  0.0232087056299  0.26727911455  0.361045719676   0   Uiso   1
A8   H  0.852038193642  0.0431052040502  0.527454936718   0   Uiso   1
