data_/home/k0566/k056601/DTSPs/029/DensestPackings/0.290000-0.450000-1.000000/4-3-1/CifFiles/0.789429.cif
_audit_creation_date              Tue Oct 19 04:41:11 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
_cell_length_b               2
_cell_length_c               2.09990889206
_cell_angle_alpha            90
_cell_angle_beta             90
_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  0.160896403444  0.539852665347  0.812532964139   0   Uiso   1
A2   H  0.820241047764  0.368618287246  0.0323683087075   0   Uiso   1
A3   Na  0.65242610569  0.539852665347  0.812532964139   0   Uiso   1
A4   H  0.488582871608  0.703695899429  0.0386529032531   0   Uiso   1
A5   Na  0.65242610569  0.031382367593  0.812532964139   0   Uiso   1
A6   H  0.824107810623  0.372634819437  0.592043149991   0   Uiso   1
A7   H  0.488582871608  0.703695899429  0.586413025025   0   Uiso   1
A8   Sc  0.155249538275  0.0370292327626  0.312532964139   0   Uiso   1
