data_/home/i0005/i000501/DTSPs/031/DensestPackings/0.310000-0.470000-1.000000/10-4-2/CifFiles/0.783260.cif
_audit_creation_date              Sat Aug 14 12:41:37 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               2.67804111699
_cell_length_b               2.67804111699
_cell_length_c               2.07777166373
_cell_angle_alpha            90
_cell_angle_beta             90
_cell_angle_gamma            103.165502464
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  0.678834776152  0.708443876604  0.938644143642   0   Uiso   1
A2   Na  0.841888138426  0.132579816422  0.188644143642   0   Uiso   1
A3   H  0.913495078245  0.943104178697  0.938644143642   0   Uiso   1
A4   H  0.871451835933  0.354674512059  0.938644143642   0   Uiso   1
A5   H  0.681408813617  0.940530034892  0.938686144597   0   Uiso   1
A6   Na  0.489359138426  0.780050816423  0.188644143642   0   Uiso   1
A7   H  0.26726444279  0.708443876604  0.938644143642   0   Uiso   1
A8   Sc  0.369245726578  0.25269322827  0.938644143642   0   Uiso   1
A9   H  0.0639828340618  0.204186756242  0.438644143642   0   Uiso   1
A10   H  0.417752198607  0.969526454149  0.438644143642   0   Uiso   1
A11   Na  0.841888138426  0.132579816422  0.688644143642   0   Uiso   1
A12   H  0.649838308837  0.972100422916  0.438667507408   0   Uiso   1
A13   H  0.459795440919  0.557956120787  0.438644143642   0   Uiso   1
A14   Sc  0.962001550274  0.659937404575  0.438644143642   0   Uiso   1
A15   Na  0.489359138426  0.780050816423  0.688644143642   0   Uiso   1
A16   H  0.6524125007  0.204186756242  0.438644143642   0   Uiso   1
