data_/home/i0005/i000501/DTSPs/DensestPackings/0.250000-0.550000-1.000000/10-2-2/CifFiles/0.788895.cif
_audit_creation_date              Sun Mar 21 11:50:02 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               2.01290577428
_cell_length_b               2.11790045557
_cell_length_c               3.27605065649
_cell_angle_alpha            90
_cell_angle_beta             71.1325939059
_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  0.691712716915  0.531518676555  0.88870037706   0   Uiso   1
A2   H  0.229400169163  0.194942213933  0.208824680377   0   Uiso   1
A3   H  0.872283874641  0.368123746334  0.887356889805   0   Uiso   1
A4   H  0.229400169163  0.868123746334  0.208824680377   0   Uiso   1
A5   H  0.780960264682  0.0315329801336  0.0608746255935   0   Uiso   1
A6   H  0.320723779122  0.531532980134  0.0353069445882   0   Uiso   1
A7   H  0.0572522339735  0.53150890002  0.88432281308   0   Uiso   1
A8   H  0.872283874641  0.694942213933  0.887356889805   0   Uiso   1
A9   H  0.0444748203555  0.0314889906634  0.211883179826   0   Uiso   1
A10   H  0.409968252282  0.0314876852306  0.207540837859   0   Uiso   1
A11   Sc  0.694866485642  0.531532980134  0.274439766943   0   Uiso   1
A12   Na  0.106947124195  0.0315329801336  0.441489323318   0   Uiso   1
A13   Sc  0.406817558162  0.0315329801336  0.821741803238   0   Uiso   1
A14   Na  0.994736919609  0.531532980134  0.654692246863   0   Uiso   1
