data_/home/k0566/k056601/DTSPs/029/DensestPackings/0.290000-0.450000-1.000000/4-4-2/CifFiles/0.779439.cif
_audit_creation_date              Tue Oct 19 04:41:53 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               2.09523552151
_cell_length_c               3.32773289445
_cell_angle_alpha            108.349601064
_cell_angle_beta             88.6041337297
_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   Sc  0.955417877904  0.33902970021  0.202382749985   0   Uiso   1
A2   Na  0.706021203664  0.703382433072  0.931088215709   0   Uiso   1
A3   H  0.929884815832  0.412043729151  0.83233295012   0   Uiso   1
A4   H  0.463245083638  0.984434592421  0.00927039215458   0   Uiso   1
A5   Na  0.22557300617  0.703058569381  0.930457678507   0   Uiso   1
A6   H  0.463245083638  0.500512450169  0.00927039215458   0   Uiso   1
A7   Na  0.456325303041  0.827835730501  0.179994810567   0   Uiso   1
A8   Sc  0.437712021567  0.0574486213625  0.639220592289   0   Uiso   1
A9   H  0.929884815832  0.895965871404  0.83233295012   0   Uiso   1
A10   Na  0.93680459643  0.568642591072  0.661608531707   0   Uiso   1
