data_C:/Work/SAMLAIdsp/ReOptimization/8-1-1/0.200000-0.300000-1.000000/CifFiles/0.807864.cif
_audit_creation_date              Thu Apr 15 01:04:21 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            60
_cell_angle_beta             60
_cell_angle_gamma            60
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  0.994499077541  0.00140763899172  0.994793096481   0   Uiso   1
A2   Sc  0.74759601918  0.749614532994  0.746038829262   0   Uiso   1
A3   H  0.502266266892  0.496051887314  0.498222521807   0   Uiso   1
A4   H  0.955787928443  0.346912377798  0.343208497696   0   Uiso   1
A5   H  0.17851610738  0.173496187035  0.162755125657   0   Uiso   1
A6   Na  0.246707179142  0.330745845672  0.246066615622   0   Uiso   1
A7   H  0.344903524976  0.346149119593  0.954224432941   0   Uiso   1
A8   H  0.334530357064  0.0235369615768  0.312381236641   0   Uiso   1
A9   H  0.150775094737  0.152150972848  0.537394741581   0   Uiso   1
A10   H  0.539359325797  0.151708955955  0.148665115083   0   Uiso   1
