# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral '$β$-PdCl2'
_chemical_formula_sum 'Cl2 Pd'

loop_
_publ_author_name
 'D. B. {DellÁmico}'
 'F. Calderazzo'
 'F. Marchetti'
 'S. Ramello'
_journal_name_full_name
;
 Angewandte Chemie (International ed.)
;
_journal_volume 35
_journal_year 1996
_journal_page_first 1331
_journal_page_last 1333
_publ_Section_title
;
 Molecular Structure of [Pd$_{6}$Cl$_{12}$] in Single Crystals Chemically Grown at Room Temperature
;

_aflow_title '$\beta$-PdCl$_{2}$ Structure'
_aflow_proto 'A2B_hR18_148_2f_f'
_aflow_params 'a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '13.0471,0.659280606418,0.7407,-0.76315,0.0238,1.14609,0.38403,-0.59217,0.08714,0.06386,0.3263'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hR18'

_symmetry_space_group_name_H-M "R -3 (hexagonal axes)"
_symmetry_Int_Tables_number 148
 
_cell_length_a    13.04710
_cell_length_b    13.04710
_cell_length_c    8.60170
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -x,-y,-z
5 y,-x+y,-z
6 x-y,x,-z
7 x+1/3,y+2/3,z+2/3
8 -y+1/3,x-y+2/3,z+2/3
9 -x+y+1/3,-x+2/3,z+2/3
10 -x+1/3,-y+2/3,-z+2/3
11 y+1/3,-x+y+2/3,-z+2/3
12 x-y+1/3,x+2/3,-z+2/3
13 x+2/3,y+1/3,z+1/3
14 -y+2/3,x-y+1/3,z+1/3
15 -x+y+2/3,-x+1/3,z+1/3
16 -x+2/3,-y+1/3,-z+1/3
17 y+2/3,-x+y+1/3,-z+1/3
18 x-y+2/3,x+1/3,-z+1/3
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl1 Cl  18 f 0.74025  0.76360  0.00045 1.00000
Cl2 Cl  18 f 0.83344  -0.07138 0.31265 1.00000
Pd1 Pd  18 f -0.07196 0.09524  0.15910 1.00000
