data_/home/k0475/k047502/DTSPs/DensestPackings/0.200000-0.400000-1.000000/16-1-1/CifFiles/0.815179.cif
_audit_creation_date              Sun Apr  4 05:35:02 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
_cell_length_b               2.08441555838
_cell_length_c               2
_cell_angle_alpha            61.330873356
_cell_angle_beta             90
_cell_angle_gamma            118.669126644
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  0.340348531089  0.616727811992  0.248077451027   0   Uiso   1
A2   H  0.944240625971  0.616727811992  0.85196954591   0   Uiso   1
A3   H  0.604215650039  0.938484558733  0.811224679413   0   Uiso   1
A4   H  0.0961917419374  0.473340410256  0.316671899367   0   Uiso   1
A5   H  0.532855959326  0.793958478703  0.0555700227899   0   Uiso   1
A6   Sc  0.238548292648  0.205343145347  0.95376978435   0   Uiso   1
A7   Na  0.739107305524  0.204918080587  0.45361181207   0   Uiso   1
A8   H  0.873478387836  0.473453088468  0.0963680016836   0   Uiso   1
A9   H  0.532855959326  0.793958478703  0.263354212555   0   Uiso   1
A10   H  0.605612084237  0.941167222808  0.363093912735   0   Uiso   1
A11   H  0.871703071157  0.47012873873  0.544476939029   0   Uiso   1
A12   H  0.944240625971  0.616727811992  0.644185356145   0   Uiso   1
A13   H  0.38109267492  0.938010806821  0.588576916131   0   Uiso   1
A14   H  0.64759963206  0.470449737596  0.320316424593   0   Uiso   1
A15   H  0.548132720853  0.616727811992  0.248077451027   0   Uiso   1
A16   H  0.136748054208  0.793958478702  0.659462117672   0   Uiso   1
A17   H  0.828366711618  0.939803101183  0.586764855865   0   Uiso   1
A18   H  0.928963864444  0.793958478703  0.659462117672   0   Uiso   1
