data_4H-SiC-SiC-AB
_audit_creation_date              2018-03-12
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P63/MMC'
_symmetry_Int_Tables_number       194
_symmetry_cell_setting            hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -y,x-y,z
  -x+y,-x,z
  -x,-y,z+1/2
  y,-x+y,z+1/2
  x-y,x,z+1/2
  y,x,-z
  x-y,-y,-z
  -x,-x+y,-z
  -y,-x,-z+1/2
  -x+y,y,-z+1/2
  x,x-y,-z+1/2
  -x,-y,-z
  y,-x+y,-z
  x-y,x,-z
  x,y,-z+1/2
  -y,x-y,-z+1/2
  -x+y,-x,-z+1/2
  -y,-x,z
  -x+y,y,z
  x,x-y,z
  y,x,z+1/2
  x-y,-y,z+1/2
  -x,-x+y,z+1/2
_cell_length_a                    3.0780
_cell_length_b                    3.0780
_cell_length_c                    8.4120
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 120.0000
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   0.75000   0.00000  Uiso   1.00
Si4    Si    0.66667   0.33333   0.75000   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     Si4     1.777   .     A
C1     Si4     1.777   1_455 A
C1     Si4     1.777   1_445 A
Si4    C1      1.777   1_655 A
Si4    C1      1.777   1_665 A
