data_/home/k0475/k047502/DTSPs/030/DensestPackings/0.300000-0.460000-1.000000/4-4-2/CifFiles/0.773017.cif
_audit_creation_date              Sun Aug 29 19:00:56 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               2.11988237759
_cell_length_c               3.36367961872
_cell_angle_alpha            71.6323282354
_cell_angle_beta             89.0283205004
_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   H  0.844317803343  0.438294180172  0.197687307698   0   Uiso   1
A2   Na  0.849208249649  0.275277333288  0.0262188359397   0   Uiso   1
A3   Na  0.108259956732  0.149373496381  0.285328402771   0   Uiso   1
A4   Sc  0.3500136857  0.789397403328  0.997978695861   0   Uiso   1
A5   H  0.367950237521  0.855091356564  0.369088623863   0   Uiso   1
A6   Na  0.618082295675  0.140035451374  0.296702599769   0   Uiso   1
A7   H  0.844317803343  0.940792014646  0.197687307698   0   Uiso   1
A8   Na  0.363059791215  0.0181082034475  0.540557095621   0   Uiso   1
A9   H  0.367950237521  0.35259352209  0.369088623863   0   Uiso   1
A10   Sc  0.862254355164  0.503988133408  0.5687972357   0   Uiso   1
