# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Cl2H12O6Sr'
_chemical_formula_sum 'Cl2 H12 O6 Sr'

loop_
_publ_author_name
 'P. A. Agron'
 'W. R. Busing'
_journal_name_full_name
;
 Acta Crystallographica Section C: Structural Chemistry
;
_journal_volume 42
_journal_year 1986
_journal_page_first 141
_journal_page_last 143
_publ_Section_title
;
 Calcium and strontium dichloride hexahydrates by neutron diffraction
;

# Found in PAULING FILE, 2016 Found in PAULING FILE, {in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg SpringerMaterials},

_aflow_title 'SrCl$_{2}$$\cdot$(H$_{2}$O)$_{6}$ Structure'
_aflow_proto 'A2B12C6D_hP21_150_d_2g_ef_a'
_aflow_params 'a,c/a,z_{2},x_{3},x_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6}'
_aflow_params_values '7.9596,0.518154178602,0.429,0.3114,0.7868,0.4326,0.0988,-0.0926,0.767,0.1113,0.4835'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP21'

_symmetry_space_group_name_H-M "P 3 2 1"
_symmetry_Int_Tables_number 150
 
_cell_length_a    7.95960
_cell_length_b    7.95960
_cell_length_c    4.12430
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 x-y,-y,-z
5 y,x,-z
6 -x,-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
Sr1 Sr 1 a 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 2 d 0.33333 0.66667 0.42900 1.00000
O1 O 3 e 0.31140 0.00000 0.00000 1.00000
O2 O 3 f 0.78680 0.00000 0.50000 1.00000
H1 H 6 g 0.43260 0.09880 -0.09260 1.00000
H2 H 6 g 0.76700 0.11130 0.48350 1.00000