data_/home/k0566/k056601/DTSPs/029/DensestPackings/0.290000-0.510000-1.000000/6-2-2/CifFiles/0.781880.cif
_audit_creation_date              Tue Oct 19 04:57:03 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
_cell_length_b               2
_cell_length_c               3.86249035424
_cell_angle_alpha            81.3709782601
_cell_angle_beta             83.7501559643
_cell_angle_gamma            120
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  0.346568098061  0.926992164332  0.260376004699   0   Uiso   1
A2   H  0.448518234968  0.395605493031  0.689479816893   0   Uiso   1
A3   H  0.543247135309  0.145881791531  0.845103154365   0   Uiso   1
A4   Sc  0.136763384354  0.397683398237  0.999489484501   0   Uiso   1
A5   Na  0.64521572302  0.614513582854  0.274206961218   0   Uiso   1
A6   H  0.115458806218  0.728138899992  0.690063291788   0   Uiso   1
A7   Sc  0.855020436727  0.143822348949  0.535093481417   0   Uiso   1
A8   H  0.876312375568  0.813407405308  0.844484239712   0   Uiso   1
A9   H  0.763380810901  0.538738844279  0.760047144797   0   Uiso   1
A10   H  0.21301241464  0.998059845275  0.776892891476   0   Uiso   1
