data_/home/i0005/i000501/DTSPs/035/DensestPackings/0.350000-0.480000-1.000000/8-6-2/CifFiles/0.764043.cif
_audit_creation_date              Fri Aug 13 09:18:02 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               2.90968389115
_cell_length_b               2.53490350648
_cell_length_c               2.23476838785
_cell_angle_alpha            90
_cell_angle_beta             90
_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   Na  0.319668902264  0.891844063769  0.193450064835   0   Uiso   1
A2   H  0.63145467354  0.639826662814  0.428959398073   0   Uiso   1
A3   Sc  0.986130647239  0.891844063769  0.693450064835   0   Uiso   1
A4   H  0.840806620937  0.139826662814  0.193450064835   0   Uiso   1
A5   Na  0.652592392213  0.891844063769  0.193450064835   0   Uiso   1
A6   Sc  0.486130647239  0.391844063769  0.928959398073   0   Uiso   1
A7   Na  0.986130647239  0.391844063769  0.0505495400376   0   Uiso   1
A8   H  0.340806620937  0.143861464723  0.428959398073   0   Uiso   1
A9   H  0.13145467354  0.139826662814  0.193450064835   0   Uiso   1
A10   H  0.13145467354  0.643861464723  0.193450064835   0   Uiso   1
A11   H  0.340806620937  0.639826662814  0.428959398073   0   Uiso   1
A12   H  0.63145467354  0.143861464723  0.428959398073   0   Uiso   1
A13   H  0.840806620937  0.643861464723  0.193450064835   0   Uiso   1
A14   Na  0.152592392214  0.391844063769  0.428959398073   0   Uiso   1
A15   Na  0.819668902264  0.391844063769  0.428959398073   0   Uiso   1
A16   Na  0.486130647239  0.891844063769  0.57185992287   0   Uiso   1
