data_/home/i0005/i000501/DTSPs/DensestPackings/0.350000-0.500000-1.000000/10-6-3/CifFiles/0.773180.cif
_audit_creation_date              Sun Mar 21 12:28:11 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               2.8289028033
_cell_length_b               2.82890278192
_cell_length_c               2.82890306834
_cell_angle_alpha            89.999999677
_cell_angle_beta             89.9999999746
_cell_angle_gamma            90.0000000763
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  0.69073581302  0.283326433662  0.228402982434   0   Uiso   1
A2   Sc  0.513968785344  0.283348077528  0.728409854603   0   Uiso   1
A3   H  0.20464918441  0.0926575454355  0.03775494072   0   Uiso   1
A4   H  0.20465062581  0.474013339297  0.0377719552996   0   Uiso   1
A5   H  0.823296246811  0.474020843707  0.0377580292815   0   Uiso   1
A6   Sc  0.0139908206568  0.783326491246  0.728401480877   0   Uiso   1
A7   Na  0.0139690808309  0.960093611664  0.228411768434   0   Uiso   1
A8   H  0.0315519342598  0.279644730091  0.227335940247   0   Uiso   1
A9   H  0.501278588137  0.770542709534  0.748936941954   0   Uiso   1
A10   Na  0.337241872248  0.283326434734  0.228402987425   0   Uiso   1
A11   H  0.823334260388  0.473972468677  0.419069877866   0   Uiso   1
A12   H  0.204611172105  0.0927059190873  0.41907296719   0   Uiso   1
A13   H  0.823335702561  0.0926984198325  0.419086894304   0   Uiso   1
A14   H  0.823297687592  0.0926500411809  0.0377410129791   0   Uiso   1
A15   Na  0.0139690835039  0.606599668219  0.228411768809   0   Uiso   1
A16   Sc  0.513973977596  0.7833414078  0.228484035613   0   Uiso   1
A17   Na  0.0139745332273  0.283342085122  0.551729107502   0   Uiso   1
A18   H  0.204612614898  0.473964969267  0.419055952474   0   Uiso   1
A19   Na  0.0139745240248  0.283342076979  0.905223015155   0   Uiso   1
