# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'K2SnCl6'
_chemical_formula_sum 'Cl6 K2 Sn'

loop_
_publ_author_name
 'H. Boysen'
 'A. W. Hewat'
_journal_name_full_name
;
 Acta Crystallographica Section B: Structural Science
;
_journal_volume 34
_journal_year 1978
_journal_page_first 1412
_journal_page_last 1418
_publ_Section_title
;
 A neutron powder investigation of the structural changes in K$_{2}$SnCl$_{6}$
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'K$_{2}$SnCl$_{6}$ (Low-temperature) Structure'
_aflow_proto 'A6B2C_tP18_128_eh_d_a'
_aflow_params 'a,c/a,z_{3},x_{4},y_{4}'
_aflow_params_values '7.057532571,1.41383170154,0.2523,0.2217,0.2511'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP18'

_cell_length_a    7.0575325710
_cell_length_b    7.0575325710
_cell_length_c    9.9781632835
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 4/m 21/n 2/c"
_symmetry_Int_Tables_number 128
 
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 -y+1/2,-x+1/2,-z+1/2
6 -y,x,z
7 y,-x,z
8 y+1/2,x+1/2,-z+1/2
9 -x,-y,-z
10 -x+1/2,y+1/2,z+1/2
11 x+1/2,-y+1/2,z+1/2
12 x,y,-z
13 y+1/2,x+1/2,z+1/2
14 y,-x,-z
15 -y,x,-z
16 -y+1/2,-x+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
Sn1 Sn   2 a 0.00000 0.00000 0.00000 1.00000
K1  K    4 d 0.00000 0.50000 0.25000 1.00000
Cl1 Cl   4 e 0.00000 0.00000 0.25230 1.00000
Cl2 Cl   8 h 0.22170 0.25110 0.00000 1.00000
