data_C:/Work/SAMLAIdsp/ReOptimization/4-2-2/0.480000-0.640000-1.000000/CifFiles/0.747827.cif
_audit_creation_date              Thu Sep  2 01:39:46 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               2.6966916436
_cell_length_c               3.08451430068
_cell_angle_alpha            90
_cell_angle_beta             90
_cell_angle_gamma            92.7308658194
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  0.514206045312  0.210827711247  0.696518257315   0   Uiso   1
A2   Sc  0.0330068909082  0.503487331717  0.196518257315   0   Uiso   1
A3   H  0.000813141980245  0.00234974753898  0.999788005376   0   Uiso   1
A4   Na  0.530307785739  0.00492747202551  0.196518257315   0   Uiso   1
A5   H  0.54639979424  0.711965295425  0.893248509254   0   Uiso   1
A6   H  0.54639979424  0.711965295425  0.499788005376   0   Uiso   1
A7   Na  0.0169051504805  0.709387570939  0.696518257315   0   Uiso   1
A8   H  0.00081314198029  0.00234974753897  0.393248509254   0   Uiso   1
