data_/home/k0566/k056601/DTSPs/029/DensestPackings/0.290000-0.480000-1.000000/4-3-1/CifFiles/0.792063.cif
_audit_creation_date              Tue Oct 19 04:49:20 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               2.0000017101
_cell_length_b               2
_cell_length_c               2.18208363905
_cell_angle_alpha            90
_cell_angle_beta             90
_cell_angle_gamma            120.000028285
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  0.650192197166  0.867532998876  0.058646133979   0   Uiso   1
A2   H  0.983803973426  0.534778832782  0.794589346516   0   Uiso   1
A3   H  0.317086622783  0.201329967078  0.794342187161   0   Uiso   1
A4   H  0.983818993971  0.534808626131  0.322716132703   0   Uiso   1
A5   H  0.317220666542  0.201330047897  0.322950182338   0   Uiso   1
A6   Na  0.653233469829  0.369053637807  0.558646133979   0   Uiso   1
A7   Na  0.148660673103  0.369064702556  0.558646137059   0   Uiso   1
A8   Na  0.151665231675  0.870479067893  0.558646133979   0   Uiso   1
