# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral '$δ$-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 '$\delta$-PdCl$_{2}$ Structure'
_aflow_proto 'A2B_mP6_10_mn_bg'
_aflow_params 'a,b/a,c/a,\beta,x_{3},z_{3},x_{4},z_{4}'
_aflow_params_values '4.012,0.819541375872,2.93668993021,97.03,0.843,0.126,0.558,0.644'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'mP6'

_symmetry_space_group_name_H-M "P 1 2/m 1"
_symmetry_Int_Tables_number 10
 
_cell_length_a    4.01200
_cell_length_b    3.28800
_cell_length_c    11.78200
_cell_angle_alpha 90.00000
_cell_angle_beta  97.03000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z
3 -x,-y,-z
4 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   1 b 0.00000 0.50000 0.00000 1.00000
Pd2 Pd   1 g 0.50000 0.00000 0.50000 1.00000
Cl1 Cl   2 m 0.84300 0.00000 0.12600 1.00000
Cl2 Cl   2 n 0.55800 0.50000 0.64400 1.00000
