data_/home/i0005/i000501/DTSPs/DensestPackings/0.350000-0.450000-1.000000/16-2-2/CifFiles/0.769450.cif
_audit_creation_date              Sun Mar 21 15:25:04 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               2.60210366604
_cell_length_b               2.60153043519
_cell_length_c               2.69737911817
_cell_angle_alpha            121.226434682
_cell_angle_beta             90
_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   Na  0.569597129246  0.981662403807  0.937463692422   0   Uiso   1
A2   Na  0.0695971292463  0.309289019132  0.101277000084   0   Uiso   1
A3   H  0.825710320818  0.237008341992  0.894680149624   0   Uiso   1
A4   H  0.70779201095  0.660429552688  0.776847266862   0   Uiso   1
A5   H  0.558033297276  0.264525929549  0.896100056375   0   Uiso   1
A6   H  0.211773450173  0.902568963643  0.267569955627   0   Uiso   1
A7   H  0.325710320818  0.0539430809476  0.803147519102   0   Uiso   1
A8   H  0.37635558884  0.333282704011  0.113273842523   0   Uiso   1
A9   H  0.87635558884  0.957668718929  0.925466849983   0   Uiso   1
A10   H  0.0580332972759  0.0264254933909  0.142640636131   0   Uiso   1
A11   H  0.558033297276  0.264525929549  0.26169085421   0   Uiso   1
A12   H  0.825710320818  0.237008341992  0.235593173404   0   Uiso   1
A13   Sc  0.205324809548  0.488419529694  0.690842255365   0   Uiso   1
A14   Sc  0.705324809548  0.802531893246  0.347898437141   0   Uiso   1
A15   H  0.20779201095  0.630521870252  0.261893425644   0   Uiso   1
A16   H  0.711773450173  0.388382459297  0.510476703454   0   Uiso   1
A17   H  0.211773450173  0.902568963643  0.528263989051   0   Uiso   1
A18   H  0.325710320818  0.0539430809476  0.144060542881   0   Uiso   1
A19   H  0.711773450173  0.388382459297  0.771170736879   0   Uiso   1
A20   H  0.0580332972759  0.0264254933909  0.777049838296   0   Uiso   1
