
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
#######################################################################
#
# If this CIF has been generated from an entry in the Cambridge 
# Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting 
# from the CCDC's data processing and validation procedures.
#
#######################################################################

data_global
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63/m m c'
_symmetry_Int_Tables_number      194
_space_group_name_Hall           "-P 6c 2'c"
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-x+y,1/2+z
3 x,x-y,1/2-z
4 -x+y,-x,1/2-z
5 x-y,x,1/2+z
6 -y,-x,z
7 y,x,-z
8 y,-x+y,-z
9 -y,x-y,z
10 x-y,-y,1/2+z
11 -x+y,y,1/2-z
12 x,y,1/2-z
13 -x,-y,1/2+z
14 x,x-y,z
15 -x,-x+y,-z
16 x-y,x,-z
17 -x+y,-x,z
18 y,x,1/2+z
19 -y,-x,1/2-z
20 -y,x-y,1/2-z
21 y,-x+y,1/2+z
22 -x+y,y,z
23 x-y,-y,-z
24 -x,-y,-z
_cell_length_a                   2.97887
_cell_length_b                   2.97887
_cell_length_c                   5.61765
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     43.1706
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cd Cd 0.33333 0.66667 0.25000
Cd Cd 0.33333 -0.33334 0.25000
Cd Cd -0.66667 -0.33333 0.25000
Cd Cd -1.66667 -1.33333 0.25000
Cd Cd -1.66667 -0.33333 0.25000
Cd Cd -0.66667 -1.33333 0.25000
Cd Cd -0.66667 0.66667 0.25000
Cd Cd 0.33333 -1.33333 0.25000
Cd Cd 0.33333 1.66667 0.25000
Cd Cd 1.33333 -0.33333 0.25000
Cd Cd 1.33333 0.66667 0.25000
Cd Cd 1.33333 1.66667 0.25000

#END
