data_/home/koshoji/SAMLAIdsp/Work/DensestPackings/0.300000-0.400000-1.000000/13-3-1/CifFiles/0.793502.cif
_audit_creation_date              Wed Mar 10 13:28:49 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               2.01203454988
_cell_length_b               2.01203454986
_cell_length_c               2.01203454982
_cell_angle_alpha            90
_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   H  0.301264518375  0.32840899494  0.0854112085046   0   Uiso   1
A2   H  0.316092743258  0.546555935593  0.88209249263   0   Uiso   1
A3   H  0.0979458007409  0.749874650418  0.867264264876   0   Uiso   1
A4   Na  0.0979458007371  0.0465559375564  0.101514657673   0   Uiso   1
A5   H  0.894627083103  0.328408994943  0.0854112085047   0   Uiso   1
A6   H  0.301264516162  0.764702878576  0.0854112085046   0   Uiso   1
A7   H  0.894627085317  0.764702878573  0.0854112085047   0   Uiso   1
A8   H  0.879798859742  0.546555935593  0.288729925822   0   Uiso   1
A9   H  0.316092741744  0.546555935593  0.288729925817   0   Uiso   1
A10   H  0.0979458007409  0.343237217163  0.303558148338   0   Uiso   1
A11   Sc  0.597945800741  0.0465559355936  0.585411208505   0   Uiso   1
A12   Na  0.597945800745  0.562659382933  0.0854112102732   0   Uiso   1
A13   H  0.097945800741  0.749874651962  0.303558150509   0   Uiso   1
A14   H  0.0979458007414  0.546555935727  0.0854112084117   0   Uiso   1
A15   H  0.879798858228  0.546555935593  0.882092492626   0   Uiso   1
A16   Na  0.114049247304  0.546555933058  0.585411207136   0   Uiso   1
A17   H  0.0979458007409  0.343237218707  0.867264267046   0   Uiso   1
