data_/home/i0005/i000501/DTSPs/DensestPackings/0.250000-0.350000-1.000000/9-7-2/CifFiles/0.783220.cif
_audit_creation_date              Sun Mar 21 12:56:59 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               2.56386683102
_cell_length_b               2
_cell_length_c               2.56689540601
_cell_angle_alpha            82.6271282521
_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  0.0815886691103  0.452666013768  0.923958609943   0   Uiso   1
A2   H  0.688211602734  0.0344807356479  0.780263547519   0   Uiso   1
A3   H  0.690200973242  0.283640239522  0.784870782194   0   Uiso   1
A4   Na  0.33950139931  0.0912776135757  0.132679974976   0   Uiso   1
A5   Na  0.18961299906  0.796298919047  0.162127418056   0   Uiso   1
A6   H  0.804108171972  0.12757913375  0.912376409486   0   Uiso   1
A7   Na  0.0397245988095  0.0912776135757  0.132679974976   0   Uiso   1
A8   H  0.575104615066  0.127557434565  0.912402030588   0   Uiso   1
A9   Sc  0.68961299906  0.582905965492  0.183509724051   0   Uiso   1
A10   Na  0.53972459881  0.499177270964  0.691881372134   0   Uiso   1
A11   H  0.298255163305  0.451982015478  0.924377654535   0   Uiso   1
A12   Na  0.189622453448  0.38999923371  0.131994465478   0   Uiso   1
A13   Sc  0.18961299906  0.00754891904684  0.641051623059   0   Uiso   1
A14   H  0.160628118696  0.558259034186  0.328579341867   0   Uiso   1
A15   H  0.662416385488  0.03130653917  0.486557934328   0   Uiso   1
A16   Na  0.83950139931  0.499177270964  0.691881372134   0   Uiso   1
A17   H  0.72275253293  0.1892982574  0.614980923183   0   Uiso   1
A18   Na  0.68961299906  0.794155965491  0.66234165208   0   Uiso   1
