data_/home/i0005/i000501/DTSPs/031/DensestPackings/0.310000-0.470000-1.000000/4-4-2/CifFiles/0.767688.cif
_audit_creation_date              Wed Aug 11 02:44:07 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               2.14375318702
_cell_length_b               2
_cell_length_c               3.95872353899
_cell_angle_alpha            120.843512067
_cell_angle_beta             105.709685836
_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  0.899197561466  0.67017603364  0.0858426477507   0   Uiso   1
A2   Na  0.416165330484  0.204614121491  0.119778185787   0   Uiso   1
A3   H  0.757828575477  0.379262767516  0.291878210501   0   Uiso   1
A4   Sc  0.188286821652  0.742107819216  0.664021168122   0   Uiso   1
A5   Na  0.547938462597  0.707186051237  0.383324450012   0   Uiso   1
A6   H  0.246602110205  0.379262767516  0.291878210501   0   Uiso   1
A7   H  0.840882272913  0.0330210853396  0.457985605372   0   Uiso   1
A8   Na  0.543662940452  0.206586675565  0.374807860127   0   Uiso   1
A9   Na  0.671319052634  0.207669731365  0.630085630086   0   Uiso   1
A10   H  0.32965580764  0.0330210853396  0.457985605372   0   Uiso   1
