# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Sr2Bi3'
_chemical_formula_sum 'Bi3 Sr2'

loop_
_publ_author_name
 'F. Merlo'
 'M. L. Fornasini'
_journal_name_full_name
;
 Materials Research Bulletin
;
_journal_volume 29
_journal_year 1994
_journal_page_first 149
_journal_page_last 154
_publ_Section_title
;
 Crystal structure of some phases and alloying behaviour in alkaline earths, europium and ytterbium pnictides
;

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

_aflow_title 'Sr$_{2}$Bi$_{3}$ Structure'
_aflow_proto 'A3B2_oP20_52_de_cd'
_aflow_params 'a,b/a,c/a,z_{1},x_{2},x_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '15.5832022616,0.434585119311,0.426069989123,0.443,0.4294,0.0001,0.6539,0.064,0.0788'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP20'

_cell_length_a    15.5832022616
_cell_length_b    6.7722278141
_cell_length_c    6.6395348181
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 2/n 21/n 2/a"
_symmetry_Int_Tables_number 52
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y+1/2,-z+1/2
3 -x+1/2,y+1/2,-z+1/2
4 -x+1/2,-y,z
5 -x,-y,-z
6 -x,y+1/2,z+1/2
7 x+1/2,-y+1/2,z+1/2
8 x+1/2,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   4 c 0.25000 0.00000 0.44300 1.00000
Bi1 Bi   4 d 0.42940 0.25000 0.25000 1.00000
Sr2 Sr   4 d 0.00010 0.25000 0.25000 1.00000
Bi2 Bi   8 e 0.65390 0.06400 0.07880 1.00000
