data_/home/k0566/k056601/DTSPs/029/DensestPackings/0.290000-0.400000-1.000000/10-2-1/CifFiles/0.796814.cif
_audit_creation_date              Tue Oct 19 03:23:09 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               2.00687726233
_cell_length_b               2.00800972605
_cell_length_c               2
_cell_angle_alpha            77.2929306518
_cell_angle_beta             102.673385779
_cell_angle_gamma            73.9813359638
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  0.757575624032  0.953755431374  0.728143903223   0   Uiso   1
A2   H  0.196652903038  0.29836417736  0.884682945653   0   Uiso   1
A3   Na  0.0619862035311  0.260411319391  0.227434929067   0   Uiso   1
A4   Na  0.453165044533  0.647099543357  0.22885287738   0   Uiso   1
A5   H  0.684435559225  0.388968087772  0.11592667577   0   Uiso   1
A6   H  0.315969600219  0.395252318755  0.121713756429   0   Uiso   1
A7   H  0.413091973899  0.514466240351  0.884682945653   0   Uiso   1
A8   H  0.322116526648  0.027183805883  0.116062219746   0   Uiso   1
A9   H  0.193034721416  0.880327056864  0.3402255867   0   Uiso   1
A10   H  0.830715688839  0.518542774975  0.340361130677   0   Uiso   1
A11   H  0.318498345026  0.609146685387  0.571604860793   0   Uiso   1
A12   H  0.199181647845  0.512258543992  0.334574050018   0   Uiso   1
A13   H  0.102059274165  0.393044622396  0.571604860793   0   Uiso   1
