# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'SrAl2Se4'
_chemical_formula_sum 'Al2 Se4 Sr'

loop_
_publ_author_name
 'W. Klee'
 'H. Sch{ä}fer'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Naturforschung B
;
_journal_volume 33
_journal_year 1978
_journal_page_first 829
_journal_page_last 833
_publ_Section_title
;
 CaAl$_{2}$Se$_{4}$ und SrAl$_{2}$Se$_{4}$-Strukturvarianten des TlSe-Typs / CaAl$_{2}$Se$_{4}$ and SrAl$_{2}$Se$_{4}$-Variants of the TlSe-Structure
;

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

_aflow_title 'SrAl$_{2}$Se$_{4}$ Structure'
_aflow_proto 'A2B4C_oC28_66_l_kl_a'
_aflow_params 'a,b/a,c/a,z_{2},x_{3},y_{3},x_{4},y_{4}'
_aflow_params_values '6.2700590867,1.72567783094,1.73046251993,0.833,0.005,0.268,0.737,0.42'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC28'

_cell_length_a    6.2700590867
_cell_length_b    10.8201019646
_cell_length_c    10.8501022473
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "C 2/c 2/c 2/m"
_symmetry_Int_Tables_number 66
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z+1/2
3 -x,y,-z+1/2
4 -x,-y,z
5 -x,-y,-z
6 -x,y,z+1/2
7 x,-y,z+1/2
8 x,y,-z
9 x+1/2,y+1/2,z
10 x+1/2,-y+1/2,-z+1/2
11 -x+1/2,y+1/2,-z+1/2
12 -x+1/2,-y+1/2,z
13 -x+1/2,-y+1/2,-z
14 -x+1/2,y+1/2,z+1/2
15 x+1/2,-y+1/2,z+1/2
16 x+1/2,y+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
Sr1 Sr   4 a 0.00000 0.00000 0.25000 1.00000
Se1 Se   8 k 0.25000 0.25000 0.83300 1.00000
Al1 Al   8 l 0.00500 0.26800 0.00000 1.00000
Se2 Se   8 l 0.73700 0.42000 0.00000 1.00000
