data_/home/i0005/i000501/DTSPs/DensestPackings/0.600000-0.700000-1.000000/6-4-4/CifFiles/0.747310.cif
_audit_creation_date              Mon Mar 22 16:16:44 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               3.84733375888
_cell_length_b               4.85437527783
_cell_length_c               2.00119996178
_cell_angle_alpha            90
_cell_angle_beta             90
_cell_angle_gamma            90.0000000171
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  0.688587689298  0.412237264475  0.180743771403   0   Uiso   1
A2   H  0.326502723571  0.583325226731  0.180743771403   0   Uiso   1
A3   Na  0.523402508103  0.16121234546  0.680743771403   0   Uiso   1
A4   H  0.33290910732  0.241438449676  0.180743771403   0   Uiso   1
A5   Na  0.710567811491  0.912401425182  0.680743771403   0   Uiso   1
A6   H  0.709028677834  0.741438450488  0.180743771403   0   Uiso   1
A7   H  0.937490069588  0.909730505631  0.181833229643   0   Uiso   1
A8   H  0.715435062194  0.0833252272843  0.180743771403   0   Uiso   1
A9   Na  0.518535272925  0.661212352335  0.680743771403   0   Uiso   1
A10   Sc  0.0261569126929  0.157512988273  0.680743771403   0   Uiso   1
A11   Na  0.331369953212  0.412401424254  0.680743771403   0   Uiso   1
A12   Sc  0.353350075405  0.912237264523  0.180743771403   0   Uiso   1
A13   H  0.104447702456  0.409730504939  0.181822812002   0   Uiso   1
A14   Sc  0.0157808822146  0.657513011623  0.680743771403   0   Uiso   1
