# CIF file

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Cl'

loop_
_publ_author_name
 'W. H. Keesom'
 'K. W. Taconis'
_journal_name_full
;
Physica
;
_journal_volume 3
_journal_year 1936
_journal_page_first 237
_journal_page_last 242
_publ_Section_title
;
 On the crystal structure of chlorine
;

# Found in  Donohue, pp. 396, Strukturbericht IV, pp. 1-4

_aflow_proto 'A_tP16_138_j'
_aflow_params 'a,c/a,x1,y1,z1'
_aflow_params_values '8.56,0.714953271028,0.375,-0.083,0.857'
_aflow_Strukturbericht 'A18'
_aflow_Pearson 'tP16'

_symmetry_space_group_name_Hall "-P 4ac 2ac"
_symmetry_space_group_name_H-M "P 42/n c m:2"
_symmetry_Int_Tables_number 138

_cell_length_a    8.56000
_cell_length_b    8.56000
_cell_length_c    6.12000
_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,-z+1/2
3 -x,y+1/2,-z+1/2
4 -x+1/2,-y+1/2,z
5 -y,-x,-z
6 -y+1/2,x,z+1/2
7 y,-x+1/2,z+1/2
8 y+1/2,x+1/2,-z
9 -x,-y,-z
10 -x+1/2,y,z+1/2
11 x,-y+1/2,z+1/2
12 x+1/2,y+1/2,-z
13 y,x,z
14 y+1/2,-x,-z+1/2
15 -y,x+1/2,-z+1/2
16 -y+1/2,-x+1/2,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
Cl1 Cl  16 j 0.37500 -0.08300 0.85700 1.00000
