data_/home/i0005/i000501/DTSPs/037/DensestPackings/0.370000-0.470000-1.000000/9-7-3/CifFiles/0.774290.cif
_audit_creation_date              Sat Oct  2 05:59:26 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               2.82842712475
_cell_length_b               2.82842712475
_cell_length_c               2.82842712475
_cell_angle_alpha            90
_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  0.981143104517  0.0480767340374  0.217912366686   0   Uiso   1
A2   Sc  0.300086551866  0.728737970612  0.0371274117599   0   Uiso   1
A3   Na  0.466423780524  0.228556223063  0.0369702597823   0   Uiso   1
A4   H  0.619161712848  0.4094690968  0.217779853357   0   Uiso   1
A5   H  0.981045653112  0.0474786465334  0.85578352832   0   Uiso   1
A6   Na  0.799903246435  0.895416523645  0.0368345497089   0   Uiso   1
A7   H  0.619505576354  0.0480388024065  0.856032143434   0   Uiso   1
A8   H  0.619560045039  0.047916039914  0.217315081587   0   Uiso   1
A9   H  0.980789602183  0.408388984383  0.855875413975   0   Uiso   1
A10   H  0.619644192015  0.409349403831  0.8564346719   0   Uiso   1
A11   Na  0.800431555181  0.561974470363  0.0372816088148   0   Uiso   1
A12   Na  0.800338713882  0.227754709641  0.703477586354   0   Uiso   1
A13   Na  0.799700481222  0.228550718843  0.0367029256826   0   Uiso   1
A14   Na  0.133411051682  0.228223242025  0.0368362591807   0   Uiso   1
A15   H  0.981314332453  0.409204871602  0.21747408775   0   Uiso   1
A16   Sc  0.300086551866  0.228737970612  0.53712741176   0   Uiso   1
A17   Na  0.799975783929  0.228853397068  0.370675002111   0   Uiso   1
A18   H  0.290348182366  0.74016095942  0.532480840778   0   Uiso   1
A19   Sc  0.800086551866  0.728737970612  0.53712741176   0   Uiso   1
