data_/home/i0005/i000501/DTSPs/DensestPackings/0.200000-0.450000-1.000000/8-8-4/CifFiles/0.769156.cif
_audit_creation_date              Mon Mar 22 19:11:38 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               3.28388095148
_cell_length_b               4.19384253871
_cell_length_c               2
_cell_angle_alpha            90
_cell_angle_beta             90
_cell_angle_gamma            71.3804575402
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  0.952909747058  0.567672619307  0.0442385570946   0   Uiso   1
A2   Sc  0.308285726335  0.34962838632  0.0894458518015   0   Uiso   1
A3   Sc  0.30787368041  0.85013345167  0.0894458518015   0   Uiso   1
A4   Na  0.036732264744  0.167842640592  0.819293702036   0   Uiso   1
A5   H  0.939637758173  0.841694446049  0.0957183444755   0   Uiso   1
A6   H  0.955192038442  0.311840564961  0.0447795885935   0   Uiso   1
A7   Na  0.0224439848926  0.671162062294  0.319293702036   0   Uiso   1
A8   Na  0.285364531495  0.105570164471  0.589445851801   0   Uiso   1
A9   H  0.517627925776  0.0427630298381  0.083677711535   0   Uiso   1
A10   Na  0.0224439848925  0.671162062294  0.859598001567   0   Uiso   1
A11   Na  0.773811718141  0.733434538416  0.0894458518017   0   Uiso   1
A12   Na  0.797386137284  0.227566780768  0.0891713727532   0   Uiso   1
A13   Sc  0.751302569226  0.988871251217  0.589445851801   0   Uiso   1
A14   Na  0.0367322647439  0.167842640592  0.359598001567   0   Uiso   1
A15   H  0.545350911449  0.288961938194  0.600167436696   0   Uiso   1
A16   H  0.396717994104  0.577745661201  0.350019611086   0   Uiso   1
A17   Na  0.256632727436  0.612635034908  0.592088305859   0   Uiso   1
A18   H  0.104198395097  0.538301286126  0.524592242479   0   Uiso   1
A19   Sc  0.750890523301  0.489376316567  0.589445851801   0   Uiso   1
A20   H  0.101990038253  0.272723095197  0.63984383821   0   Uiso   1
