data_/home/k0566/k056601/DTSPs/029/DensestPackings/0.290000-0.390000-1.000000/10-2-1/CifFiles/0.793035.cif
_audit_creation_date              Tue Oct 19 03:24:51 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               2.00000120275
_cell_length_c               2.00001135493
_cell_angle_alpha            105.416320908
_cell_angle_beta             102.577997501
_cell_angle_gamma            102.577700029
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   Na  0.16189471153  0.865070770687  0.955850707466   0   Uiso   1
A2   H  0.276218884487  0.247289358694  0.0841291722266   0   Uiso   1
A3   H  0.819042326428  0.818393523045  0.0883252092907   0   Uiso   1
A4   H  0.265715406349  0.60734161982  0.0872768844256   0   Uiso   1
A5   H  0.508275135434  0.726215860284  0.9961467704   0   Uiso   1
A6   H  0.0510997806459  0.730407916989  0.567247420076   0   Uiso   1
A7   H  0.508275135434  0.516209448027  0.206150278691   0   Uiso   1
A8   H  0.819042326428  0.608387110787  0.298328717583   0   Uiso   1
A9   Na  0.162169951963  0.474507766529  0.344490801834   0   Uiso   1
A10   H  0.0616020555139  0.727261351251  0.207198603557   0   Uiso   1
A11   H  0.0510985773754  0.0873136123774  0.210346315756   0   Uiso   1
A12   Sc  0.663658730931  0.167301485536  0.647237743991   0   Uiso   1
A13   H  0.276217681217  0.604195054083  0.727228067906   0   Uiso   1
