data_/home/i0005/i000501/DTSPs/DensestPackings/0.300000-0.550000-1.000000/6-2-2/CifFiles/0.787875.cif
_audit_creation_date              Fri Apr  2 12:39:25 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
_cell_length_c               3.94455410684
_cell_angle_alpha            83.0953880126
_cell_angle_beta             83.0953880126
_cell_angle_gamma            120
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  0.125113121221  0.737204190368  0.164566707668   0   Uiso   1
A2   H  0.346975410512  0.123664402954  0.0877340181974   0   Uiso   1
A3   H  0.0543936589625  0.999818061442  0.0166365926735   0   Uiso   1
A4   H  0.843648896661  0.626606223975  0.0884126848514   0   Uiso   1
A5   H  0.458446454555  0.403870857034  0.164566707668   0   Uiso   1
A6   Sc  0.717814730391  0.996572466204  0.320544834099   0   Uiso   1
A7   Na  0.923086723425  0.535177792572  0.59060165017   0   Uiso   1
A8   Na  0.256420056759  0.201844459238  0.59060165017   0   Uiso   1
A9   Sc  0.461692049793  0.740449785606  0.860658466242   0   Uiso   1
A10   H  0.721060325629  0.333151394776  0.0166365926735   0   Uiso   1
