data_/home/i0005/i000501/DTSPs/DensestPackings/0.200000-0.450000-1.000000/16-2-2/CifFiles/0.798402.cif
_audit_creation_date              Tue Mar 23 01:51:17 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               2.09523552151
_cell_length_b               2
_cell_length_c               2.89621258903
_cell_angle_alpha            92.7818269818
_cell_angle_beta             90.914715388
_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  0.720840991376  0.321254298923  0.0437502936961   0   Uiso   1
A2   H  0.209680803527  0.670257816657  0.15601746381   0   Uiso   1
A3   H  0.623233133983  0.213767138891  0.134014626307   0   Uiso   1
A4   H  0.465108948695  0.772988222197  0.986756383767   0   Uiso   1
A5   H  0.972586851149  0.761872670536  0.996965296378   0   Uiso   1
A6   H  0.71214925668  0.0585511521465  0.00160247938003   0   Uiso   1
A7   Na  0.721076806892  0.764271803123  0.862733787416   0   Uiso   1
A8   Sc  0.220537500609  0.262554170538  0.838294249681   0   Uiso   1
A9   H  0.811089817747  0.184414925414  0.116986710422   0   Uiso   1
A10   H  0.119513051736  0.807078110003  0.0827152914005   0   Uiso   1
A11   H  0.307421467809  0.777334308587  0.0655765811769   0   Uiso   1
A12   H  0.72352597067  0.489475570238  0.973721610925   0   Uiso   1
A13   H  0.957951385578  0.22974159809  0.202768641883   0   Uiso   1
A14   H  0.465443003097  0.218605336715  0.212963086616   0   Uiso   1
A15   H  0.207025981122  0.502117988674  0.225997859457   0   Uiso   1
A16   H  0.204642652432  0.924044888031  0.203797108324   0   Uiso   1
A17   H  0.721970588574  0.239172191635  0.61169881848   0   Uiso   1
A18   Na  0.2094751449  0.227321755789  0.336985682966   0   Uiso   1
A19   Sc  0.710014451183  0.729039388375  0.361425220702   0   Uiso   1
A20   H  0.210936501342  0.737419850997  0.580557962857   0   Uiso   1
