data_/home/k0475/k047502/DTSPs/DensestPackings/0.200000-0.650000-1.000000/22-6-2/CifFiles/0.782561.cif
_audit_creation_date              Fri Apr 16 03:23:04 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               3.03315017762
_cell_length_b               2.18164028837
_cell_length_c               3.09302112029
_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   Sc  0.0668776334969  0.359779932767  0.998345636347   0   Uiso   1
A2   H  0.0479826757293  0.856530357444  0.818733649843   0   Uiso   1
A3   H  0.71440969363  0.117978161296  0.0474929937614   0   Uiso   1
A4   H  0.0590283100913  0.855775315414  0.172678238707   0   Uiso   1
A5   Na  0.566877633497  0.359779932767  0.208496157381   0   Uiso   1
A6   H  0.783770833213  0.745175849217  0.00454561286005   0   Uiso   1
A7   H  0.210049302918  0.8560341391  0.111404942411   0   Uiso   1
A8   H  0.701638925071  0.614162062434  0.0467484978803   0   Uiso   1
A9   H  0.206239222951  0.853292067268  0.885064228625   0   Uiso   1
A10   H  0.7588361665  0.925666358521  0.998850724397   0   Uiso   1
A11   Na  0.47502980741  0.859779932767  0.998345636347   0   Uiso   1
A12   Na  0.566877633497  0.359779932767  0.788195115313   0   Uiso   1
A13   H  0.727547351835  0.621201845332  0.91921635933   0   Uiso   1
A14   H  0.891284193019  0.854536429366  0.0139638728178   0   Uiso   1
A15   H  0.727429020626  0.0986538345278  0.919256630485   0   Uiso   1
A16   H  0.563120074318  0.456540781168  0.498826663446   0   Uiso   1
A17   H  0.302850254819  0.353843121382  0.675699965401   0   Uiso   1
A18   Na  0.785406299605  0.859779932767  0.288195115313   0   Uiso   1
A19   H  0.147575569496  0.351851797878  0.381254726279   0   Uiso   1
A20   Sc  0.285406299605  0.859779932767  0.498345636347   0   Uiso   1
A21   H  0.633350240707  0.116323279191  0.432989195174   0   Uiso   1
A22   H  0.598337030287  0.275085893201  0.493788438917   0   Uiso   1
A23   Na  0.785406299605  0.859779932767  0.708496157381   0   Uiso   1
A24   H  0.653991616242  0.572795769755  0.573251590145   0   Uiso   1
A25   H  0.626442688846  0.126707062338  0.57170283222   0   Uiso   1
A26   H  0.46002508512  0.352238521418  0.532984444898   0   Uiso   1
A27   H  0.145686067525  0.356331779688  0.611160041937   0   Uiso   1
A28   H  0.637643792281  0.617465633263  0.448267521956   0   Uiso   1
A29   Na  0.877254125691  0.359779932767  0.498345636347   0   Uiso   1
A30   H  0.293332399721  0.349516468311  0.319293025025   0   Uiso   1
