data_/home/i0005/i000501/DTSPs/036/DensestPackings/0.360000-0.470000-1.000000/9-7-3/CifFiles/0.767631.cif
_audit_creation_date              Sat Aug  7 06:25:59 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   Na  0.62233112329  0.702352793817  0.894392426934   0   Uiso   1
A2   H  0.771486482758  0.886324877569  0.0745883213642   0   Uiso   1
A3   H  0.771968643922  0.525430742868  0.0755959024542   0   Uiso   1
A4   H  0.131977915004  0.88428844995  0.0710798455944   0   Uiso   1
A5   Na  0.288599990104  0.706854033641  0.894407931907   0   Uiso   1
A6   Na  0.953222390182  0.0409401816886  0.897671410066   0   Uiso   1
A7   Sc  0.451923955948  0.204403912667  0.893732166139   0   Uiso   1
A8   Na  0.95566147819  0.707496155794  0.895511911936   0   Uiso   1
A9   H  0.130405665016  0.888331567194  0.714420800684   0   Uiso   1
A10   Sc  0.451923955948  0.704403912667  0.393732166139   0   Uiso   1
A11   Na  0.952418759315  0.374357973943  0.895871644531   0   Uiso   1
A12   H  0.129806312033  0.529457089675  0.0744243368178   0   Uiso   1
A13   H  0.773618776496  0.522211768662  0.713309336505   0   Uiso   1
A14   Na  0.951087607127  0.70434217849  0.562559879877   0   Uiso   1
A15   Sc  0.951923955948  0.204403912667  0.393732166139   0   Uiso   1
A16   H  0.44507186692  0.203797741964  0.401941277673   0   Uiso   1
A17   Na  0.951592895918  0.706603909744  0.228214771152   0   Uiso   1
A18   H  0.773180955357  0.88664373202  0.717239917113   0   Uiso   1
A19   H  0.132642702567  0.522683470481  0.712773670868   0   Uiso   1
