data_/home/i0005/i000501/DTSPs/DensestPackings/0.350000-0.700000-1.000000/12-4-4/CifFiles/0.752207.cif
_audit_creation_date              Sun Apr  4 00:37:04 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               2.82842712475
_cell_length_b               2.82842712475
_cell_length_c               4.3346818089
_cell_angle_alpha            70.9583466216
_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  0.604515663667  0.153229333168  0.0744608389168   0   Uiso   1
A2   H  0.191906361164  0.48012568894  0.245912246509   0   Uiso   1
A3   Na  0.104515663667  0.303229333167  0.0744608389168   0   Uiso   1
A4   Sc  0.279515663667  0.141944083542  0.747031338167   0   Uiso   1
A5   H  0.691776120524  0.97635737174  0.902957149711   0   Uiso   1
A6   H  0.867053854166  0.979911130033  0.246043371083   0   Uiso   1
A7   H  0.366910201904  0.476772135958  0.902608324755   0   Uiso   1
A8   H  0.867465624522  0.152044691347  0.903107442512   0   Uiso   1
A9   H  0.191605418654  0.651926898623  0.903175715549   0   Uiso   1
A10   Na  0.954515663667  0.803229333168  0.0744608389168   0   Uiso   1
A11   H  0.691406451627  0.804537402016  0.245598174126   0   Uiso   1
A12   Na  0.454515663667  0.653229333167  0.0744608389168   0   Uiso   1
A13   Sc  0.279515663667  0.814514582793  0.401890339667   0   Uiso   1
A14   H  0.263762066881  0.331563559535  0.404683702362   0   Uiso   1
A15   H  0.367596817385  0.304704405442  0.245795229465   0   Uiso   1
A16   H  0.767754468713  0.16554008326  0.736650411777   0   Uiso   1
A17   Sc  0.779515663667  0.314514582793  0.401890339667   0   Uiso   1
A18   H  0.788807289989  0.803434454221  0.413603101124   0   Uiso   1
A19   H  0.295672728863  0.645461554997  0.738984251186   0   Uiso   1
A20   Sc  0.779515663667  0.641944083542  0.747031338167   0   Uiso   1
