data_/home/k0566/k056601/DTSPs/029/DensestPackings/0.290000-0.500000-1.000000/4-3-1/CifFiles/0.796315.cif
_audit_creation_date              Tue Oct 19 04:55:08 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               2.2360679775
_cell_length_b               2
_cell_length_c               2
_cell_angle_alpha            120
_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  0.370227734984  0.65863817793  0.143197022642   0   Uiso   1
A2   Na  0.128505369013  0.491877027738  0.81002511983   0   Uiso   1
A3   Na  0.128505369013  0.991877027738  0.31002511983   0   Uiso   1
A4   Sc  0.628505369013  0.991877027738  0.81002511983   0   Uiso   1
A5   H  0.886812571146  0.658638789642  0.143263402024   0   Uiso   1
A6   H  0.886801955433  0.325095732186  0.476782951691   0   Uiso   1
A7   Na  0.128505369013  0.491877027738  0.31002511983   0   Uiso   1
A8   H  0.370307812397  0.325146760462  0.476767595146   0   Uiso   1
