data_/home/i0005/i000501/DTSPs/DensestPackings/0.200000-0.350000-1.000000/18-1-1/CifFiles/0.812846.cif
_audit_creation_date              Wed Mar 24 05:52:40 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               2.01206194898
_cell_length_b               2.01204067804
_cell_length_c               2.03464975711
_cell_angle_alpha            84.1435951383
_cell_angle_beta             116.648780153
_cell_angle_gamma            63.6874787089
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  0.365112985779  0.774153659504  0.0567975052778   0   Uiso   1
A2   H  0.499097992313  0.879401656038  0.0851586848734   0   Uiso   1
A3   H  0.103047337324  0.874561362386  0.910189300028   0   Uiso   1
A4   H  0.315312817268  0.525638391022  0.067102583668   0   Uiso   1
A5   H  0.126915104444  0.714041667153  0.0671029811071   0   Uiso   1
A6   H  0.377240760746  0.584992340253  0.258080206248   0   Uiso   1
A7   H  0.843471409889  0.0475626564679  0.778685592899   0   Uiso   1
A8   H  0.318912528047  0.658693454606  0.910191516606   0   Uiso   1
A9   H  0.702896932221  0.28947090332  0.690841091969   0   Uiso   1
A10   H  0.506702033879  0.0938606220163  0.0670989722341   0   Uiso   1
A11   Sc  0.10479948305  0.191665762668  0.378970032102   0   Uiso   1
A12   H  0.84745865087  0.853839199703  0.964539571714   0   Uiso   1
A13   H  0.514496773583  0.477879751697  0.690833471055   0   Uiso   1
A14   H  0.711430415733  0.50431265298  0.672948113969   0   Uiso   1
A15   H  0.347668638528  0.342062592178  0.970772806367   0   Uiso   1
A16   H  0.695102192516  0.905451773639  0.0671065931485   0   Uiso   1
A17   H  0.523139365927  0.494214547418  0.49539463892   0   Uiso   1
A18   H  0.686961092569  0.888737709079  0.264066728147   0   Uiso   1
A19   H  0.361488720626  0.529275482782  0.779976965545   0   Uiso   1
A20   Na  0.997126770775  0.687038135583  0.775926330265   0   Uiso   1
