# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'SrBr2'
_chemical_formula_sum 'Br2 Sr'

loop_
_publ_author_name
 'B. Frit'
 'M. M. Chbany'
_journal_name_full_name
;
 Journal of Inorganic and Nuclear Chemistry
;
_journal_volume 31
_journal_year 1969
_journal_page_first 2685
_journal_page_last 2693
_publ_Section_title
;
 Les halogeno-carbonates de strontium
;

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

_aflow_title 'SrBr$_{2}$ Structure'
_aflow_proto 'A2B_tP30_85_ab2g_cg'
_aflow_params 'a,c/a,z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6}'
_aflow_params_values '11.6179902668,0.614391461525,0.6517,0.5428,0.6612,0.5963,0.6531,0.541,0.1258,0.5856,0.1045,0.2524'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP30'

_cell_length_a    11.6179902668
_cell_length_b    11.6179902668
_cell_length_c    7.1379940200
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 4/n (origin choice 2)"
_symmetry_Int_Tables_number 85
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y+1/2,z
3 -y+1/2,x,z
4 y,-x+1/2,z
5 -x,-y,-z
6 x+1/2,y+1/2,-z
7 y+1/2,-x,-z
8 -y,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
Br1 Br   2 a 0.25000 0.75000 0.00000 1.00000
Br2 Br   2 b 0.25000 0.75000 0.50000 1.00000
Sr1 Sr   2 c 0.25000 0.25000 0.65170 1.00000
Br3 Br   8 g 0.54280 0.66120 0.59630 1.00000
Br4 Br   8 g 0.65310 0.54100 0.12580 1.00000
Sr2 Sr   8 g 0.58560 0.10450 0.25240 1.00000
