data_C
_audit_creation_date              2025-06-03
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    ' '
_symmetry_Int_Tables_number       0
_symmetry_cell_setting            cubic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  y,x,-x-y-z
  z,-x-y-z,x
  -x-y-z,z,y
  z,x,y
  -x-y-z,y,x
  x,z,-x-y-z
  y,-x-y-z,z
  y,z,x
  x,-x-y-z,y
  -x-y-z,x,z
  z,y,-x-y-z
  -x+1/4,-y+1/4,x+y+z+1/4
  -y+1/4,-x+1/4,-z+1/4
  -z+1/4,x+y+z+1/4,-y+1/4
  x+y+z+1/4,-z+1/4,-x+1/4
  -z+1/4,-x+1/4,x+y+z+1/4
  x+y+z+1/4,-y+1/4,-z+1/4
  -x+1/4,-z+1/4,-y+1/4
  -y+1/4,x+y+z+1/4,-x+1/4
  -y+1/4,-z+1/4,x+y+z+1/4
  -x+1/4,x+y+z+1/4,-z+1/4
  x+y+z+1/4,-x+1/4,-y+1/4
  -z+1/4,-y+1/4,-x+1/4
  -x+1/4,-y+1/4,-z+1/4
  -y+1/4,-x+1/4,x+y+z+1/4
  -z+1/4,x+y+z+1/4,-x+1/4
  x+y+z+1/4,-z+1/4,-y+1/4
  -z+1/4,-x+1/4,-y+1/4
  x+y+z+1/4,-y+1/4,-x+1/4
  -x+1/4,-z+1/4,x+y+z+1/4
  -y+1/4,x+y+z+1/4,-z+1/4
  -y+1/4,-z+1/4,-x+1/4
  -x+1/4,x+y+z+1/4,-y+1/4
  x+y+z+1/4,-x+1/4,-z+1/4
  -z+1/4,-y+1/4,x+y+z+1/4
  x,y,-x-y-z
  y,x,z
  z,-x-y-z,y
  -x-y-z,z,x
  z,x,-x-y-z
  -x-y-z,y,z
  x,z,y
  y,-x-y-z,x
  y,z,-x-y-z
  x,-x-y-z,z
  -x-y-z,x,y
  z,y,x
_cell_length_a                    2.5221
_cell_length_b                    2.5221
_cell_length_c                    2.5221
_cell_angle_alpha                 60.0000
_cell_angle_beta                  60.0000
_cell_angle_gamma                 60.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
C1     C     0.00000   0.00000   0.00000   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
C1     C1      1.544   13    S
C1     C1      1.544   13_554 S
C1     C1      1.544   13_545 S
C1     C1      1.544   13_455 S
