# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

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

loop_
_publ_author_name
 'J. Evers'
 'W. Beck'
 'M. G\"{o}bel'
 'S. Jakob'
 'P. Mayer'
 'G. Oehlinger'
 'M. Rotter'
 'T. M. Klap\"{o}tke'
_journal_name_full_name
;
 Angewandte Chemie (International ed.)
;
_journal_volume 49
_journal_year 2010
_journal_page_first 5677
_journal_page_last 5682
_publ_Section_title
;
 The Structures of $δ$-PdCl$_{2}$ and $γ$-PdCl$_{2}$: Phases with Negative Thermal Expansion in One Direction
;

_aflow_title '$\alpha$-PdCl$_{2}$ ($C50$) Structure'
_aflow_proto 'A2B_oP6_58_g_a'
_aflow_params 'a,b/a,c/a,x_{2},y_{2}'
_aflow_params_values '3.7572,2.89952624295,0.89063664431,0.3326,0.63309'
_aflow_Strukturbericht '$C50$'
_aflow_Pearson 'oP6'

_symmetry_space_group_name_H-M "P 21/n 21/n 2/m"
_symmetry_Int_Tables_number 58
 
_cell_length_a    3.75720
_cell_length_b    10.89410
_cell_length_c    3.34630
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z+1/2
3 -x+1/2,y+1/2,-z+1/2
4 -x,-y,z
5 -x,-y,-z
6 -x+1/2,y+1/2,z+1/2
7 x+1/2,-y+1/2,z+1/2
8 x,y,-z
 
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
Pd1 Pd   2 a 0.00000 0.00000 0.00000 1.00000
Cl1 Cl   4 g 0.33260 0.63309 0.00000 1.00000
