# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Cotunnite'
_chemical_formula_sum 'Pb Cl2'
 
loop_
_publ_author_name
 'Ronald L. Sass'
 'E. B. Brackett'
 'T. E. Brackett'
_journal_name_full
;
Journal of Physical Chemistry
;
_journal_volume 67
_journal_year 1963
_journal_page_first 2863
_journal_page_last 2864
_publ_Section_title
;
 The Crystal Structure of Lead Chloride
;

_aflow_proto 'A2B_oP12_62_2c_c' 
_aflow_params 'a,b/a,c/a,x1,z1,x2,z2,x3,z3' 
_aflow_params_values '7.6204,0.595008136056,1.1869718125,0.125,0.4217,0.0202,0.837,0.2377,0.0959'
_aflow_Strukturbericht 'C23' 
_aflow_Pearson 'oP12' 

_symmetry_space_group_name_Hall "-P 2ac 2n"
_symmetry_space_group_name_H-M "P n m a"
_symmetry_Int_Tables_number 62

_cell_length_a    7.62040
_cell_length_b    4.53420
_cell_length_c    9.04520
_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,y+1/2,-z
4 -x+1/2,-y,z+1/2
5 -x,-y,-z
6 -x+1/2,y+1/2,z+1/2
7 x,-y+1/2,z
8 x+1/2,y,-z+1/2
 
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   4 c 0.12500 0.25000 0.42170 1.00000
Cl2 Cl   4 c 0.02020 0.25000 0.83700 1.00000
Pb1 Pb   4 c 0.23770 0.25000 0.09590 1.00000
