data_/home/k0475/k047502/DTSPs/DensestPackings/0.200000-0.300000-1.000000/10-4-1/CifFiles/0.815904.cif
_audit_creation_date              Mon Apr  5 15:16:21 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
_cell_angle_alpha            67.1258187081
_cell_angle_beta             77.0722586281
_cell_angle_gamma            112.803328959
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   H  0.554313923614  0.916939961572  0.597583411656   0   Uiso   1
A2   H  0.205215491356  0.925312872489  0.228338992252   0   Uiso   1
A3   H  0.92662742698  0.205175641133  0.227009443264   0   Uiso   1
A4   Sc  0.563782781266  0.562052466573  0.233226846758   0   Uiso   1
A5   H  0.317248905211  0.0701700014803  0.983428804781   0   Uiso   1
A6   H  0.563663517856  0.20199012848  0.873199960194   0   Uiso   1
A7   Na  0.0706336011242  0.370361231158  0.918067262315   0   Uiso   1
A8   H  0.28588947896  0.931232156242  0.880431924074   0   Uiso   1
A9   Na  0.248242626175  0.753273957616  0.739988492892   0   Uiso   1
A10   H  0.204612688168  0.199407593507  0.954881886814   0   Uiso   1
A11   H  0.922014108203  0.924353261546  0.512380988823   0   Uiso   1
A12   H  0.820565399069  0.0650320349732  0.476211472017   0   Uiso   1
A13   Na  0.0706336011242  0.753743701989  0.534684791484   0   Uiso   1
A14   Na  0.865799644089  0.37083097553  0.739988492892   0   Uiso   1
A15   H  0.841836832337  0.194859587997  0.587979299515   0   Uiso   1
