# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'HCl'
_chemical_formula_sum 'Cl H'

loop_
_publ_author_name
 'E. S\\'{a}ndor'
 'R. F. C. Farrow'
_journal_name_full_name
;
 Nature
;
_journal_volume 213
_journal_year 1967
_journal_page_first 171
_journal_page_last 172
_publ_Section_title
;
 Crystal Structure of Solid Hydrogen Chloride and Deuterium Chloride
;

_aflow_title 'HCl Structure'
_aflow_proto 'AB_oC8_36_a_a'
_aflow_params 'a,b/a,c/a,y_{1},z_{1},y_{2},z_{2}'
_aflow_params_values '5.825,0.945115879828,0.922403433476,0.25,0.0,0.081,0.83'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC8'

_symmetry_space_group_name_H-M "C m c 21"
_symmetry_Int_Tables_number 36
 
_cell_length_a    5.82500
_cell_length_b    5.50530
_cell_length_c    5.37300
_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,-y,z+1/2
3 -x,y,z
4 x,-y,z+1/2
5 x+1/2,y+1/2,z
6 -x+1/2,-y+1/2,z+1/2
7 -x+1/2,y+1/2,z
8 x+1/2,-y+1/2,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 a 0.00000 0.25000 0.00000 1.00000
H1  H    4 a 0.00000 0.08100 0.83000 1.00000
