data_/home/i0005/i000501/DTSPs/DensestPackings/0.200000-0.450000-1.000000/6-4-2/CifFiles/0.774288.cif
_audit_creation_date              Fri Apr  2 15:51:50 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  0.926416740846  0.440290636094  0.899802975384   0   Uiso   1
A2   H  0.650357838357  0.648292690422  0.000588168006604   0   Uiso   1
A3   Na  0.65782862547  0.30901219477  0.162359858032   0   Uiso   1
A4   H  0.663052156277  0.102021686674  0.00122110260213   0   Uiso   1
A5   Sc  0.157040674561  0.79747385644  0.18543653469   0   Uiso   1
A6   H  0.658815684358  0.682994577615  0.419623320344   0   Uiso   1
A7   Sc  0.657040674561  0.0759139832746  0.628556281022   0   Uiso   1
A8   H  0.162978641098  0.19034133893  0.396937446261   0   Uiso   1
A9   Na  0.15782862547  0.564375644945  0.65163295768   0   Uiso   1
A10   H  0.162544268223  0.671303474482  0.840040130308   0   Uiso   1
A11   Na  0.426416740846  0.433097203621  0.914189840328   0   Uiso   1
A12   H  0.143846570186  0.257282225456  0.819457134457   0   Uiso   1
