data_/home/koshoji/SAMLAIdsp/Work/DensestPackings/0.300000-0.500000-1.000000/6-2-2/CifFiles/0.776805.cif
_audit_creation_date              Sat Mar 13 01:56:33 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               3.90904263535
_cell_angle_alpha            98.9906141924
_cell_angle_beta             73.8840849392
_cell_angle_gamma            120
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  0.735530302722  0.0218488557887  0.0114855078763   0   Uiso   1
A2   Na  0.0342289454959  0.733116381848  0.990468768419   0   Uiso   1
A3   Sc  0.269657515713  0.366799628972  0.266486853095   0   Uiso   1
A4   H  0.249442735643  0.714252313886  0.576404846506   0   Uiso   1
A5   H  0.520316512575  0.040712923751  0.425549429789   0   Uiso   1
A6   H  0.141033843963  0.874650470578  0.496747706904   0   Uiso   1
A7   H  0.634054414722  0.878546207271  0.50095118101   0   Uiso   1
A8   H  0.853649845908  0.707379590418  0.425549429789   0   Uiso   1
A9   H  0.91610940231  0.0475856472192  0.576404846506   0   Uiso   1
A10   Sc  0.500101732505  0.388165608665  0.7354674232   0   Uiso   1
