data_/home/i0005/i000501/DTSPs/DensestPackings/0.200000-0.350000-1.000000/12-2-2/CifFiles/0.804429.cif
_audit_creation_date              Tue Mar 23 19:07:01 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
_cell_length_c               2.84023973657
_cell_angle_alpha            89.8207120351
_cell_angle_beta             89.7183732966
_cell_angle_gamma            89.8256169603
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  0.770126877596  0.0528443732754  0.0261544009147   0   Uiso   1
A2   H  0.268513493381  0.834512437313  0.869780551387   0   Uiso   1
A3   H  0.44862375757  0.0400577660326  0.859615741754   0   Uiso   1
A4   H  0.767955691264  0.337329647301  0.166473071153   0   Uiso   1
A5   H  0.587911146369  0.536433831706  0.177278739441   0   Uiso   1
A6   H  0.769786923239  0.739717946474  0.164701116069   0   Uiso   1
A7   Na  0.816058273733  0.538728986052  0.29318104296   0   Uiso   1
A8   H  0.284222616233  0.537591523922  0.0243227277151   0   Uiso   1
A9   Sc  0.268167118017  0.0374696268685  0.266929021866   0   Uiso   1
A10   H  0.764147571939  0.0445848024229  0.513701787808   0   Uiso   1
A11   Na  0.222242142887  0.0355013977345  0.741300624496   0   Uiso   1
A12   H  0.268314317137  0.531557211725  0.519353174682   0   Uiso   1
A13   H  0.474287610505  0.0381257869103  0.663000317602   0   Uiso   1
A14   H  0.564012806115  0.536104596877  0.371481349854   0   Uiso   1
A15   H  0.270344725356  0.236900736486  0.868008596303   0   Uiso   1
A16   Sc  0.770133298603  0.536760756918  0.76755264559   0   Uiso   1
