data_/home/i0005/i000501/DTSPs/DensestPackings/0.350000-0.500000-1.000000/12-2-2/CifFiles/0.760812.cif
_audit_creation_date              Tue Mar 23 01:47:11 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               4.22837824845
_cell_angle_alpha            82.4790817635
_cell_angle_beta             97.5209182365
_cell_angle_gamma            67.7837802468
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  0.0458967258201  0.362147440405  0.0712150387317   0   Uiso   1
A2   H  0.617119363196  0.0652895704066  0.922979152228   0   Uiso   1
A3   H  0.915296109132  0.989475884224  0.843226396557   0   Uiso   1
A4   H  0.342754595819  0.790924803029  0.922979152228   0   Uiso   1
A5   H  0.733416946201  0.907900331554  0.230516786396   0   Uiso   1
A6   H  0.501928201351  0.675790268727  0.231214951764   0   Uiso   1
A7   Na  0.167256286326  0.740989431011  0.343226396557   0   Uiso   1
A8   Na  0.666809655919  0.241436061418  0.343226396557   0   Uiso   1
A9   H  0.828971096945  0.581583956504  0.343226396557   0   Uiso   1
A10   H  0.507404181412  0.903150872037  0.343226396557   0   Uiso   1
A11   H  0.601610493635  0.576107976444  0.455237841351   0   Uiso   1
A12   Sc  0.287967665313  0.120076500912  0.615237754383   0   Uiso   1
A13   H  0.833720556461  0.807596721294  0.455936006719   0   Uiso   1
A14   H  0.418568282001  0.492748057093  0.843226396557   0   Uiso   1
A15   H  0.991109795314  0.691299138289  0.763473640887   0   Uiso   1
A16   H  0.716745027937  0.416934370911  0.763473640887   0   Uiso   1
