data_/home/i0005/i000501/DTSPs/DensestPackings/0.250000-0.450000-1.000000/4-4-2/CifFiles/0.778942.cif
_audit_creation_date              Fri Apr  2 15:20:55 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               2.09809217747
_cell_length_c               3.28242427597
_cell_angle_alpha            71.3615715085
_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   Na  0.160096406486  0.536510445391  0.00703221872537   0   Uiso   1
A2   Na  0.660096406486  0.543703877863  0.992645353781   0   Uiso   1
A3   H  0.895535694442  0.339458155979  0.907949385813   0   Uiso   1
A4   H  0.895662982361  0.833973128423  0.907221385973   0   Uiso   1
A5   H  0.395784197901  0.741343929538  0.0924487018857   0   Uiso   1
A6   H  0.391520038629  0.249895964367  0.0904412751664   0   Uiso   1
A7   Sc  0.8907203402  0.90088709821  0.278278913088   0   Uiso   1
A8   Na  0.39150829111  0.412425436539  0.255202236429   0   Uiso   1
A9   Na  0.89150829111  0.667788886715  0.744475336077   0   Uiso   1
A10   Sc  0.3907203402  0.179327225044  0.721398659419   0   Uiso   1
