data_/home/i0005/i000501/DTSPs/046-050/DensestPackings/0.480000-0.660000-1.000000/4-2-2/CifFiles/0.758687.cif
_audit_creation_date              Mon May 31 07:56:38 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               3.10319603115
_cell_length_b               2
_cell_length_c               2.68460246086
_cell_angle_alpha            91.0011894792
_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  0.579195283475  0.202709162504  0.206527798271   0   Uiso   1
A2   Sc  0.378447935016  0.214439868523  0.706680500616   0   Uiso   1
A3   Na  0.878447935016  0.196885488717  0.92584827501   0   Uiso   1
A4   H  0.177700586557  0.202709162504  0.206527798271   0   Uiso   1
A5   H  0.677700586557  0.719444401898  0.92005477558   0   Uiso   1
A6   Na  0.378447935016  0.725268075685  0.20073429884   0   Uiso   1
A7   H  0.0791952834748  0.719444401898  0.92005477558   0   Uiso   1
A8   Sc  0.878447935016  0.707713695879  0.419902073235   0   Uiso   1
