# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Sr5Si3'
_chemical_formula_sum 'Si3 Sr5'

loop_
_publ_author_name
 'G. Nagorsen'
 'G. Rockt{ä}schel'
 'H. Sch{ä}fer'
 'A. Weiss'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Naturforschung B
;
_journal_volume 22
_journal_year 1967
_journal_page_first 101
_journal_page_last 102
_publ_Section_title
;
 Die Kristallstruktur der Phase Sr$_{5}$Si$_{3}$
;

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

_aflow_title 'Sr$_{5}$Si$_{3}$ Structure'
_aflow_proto 'A3B5_tI32_108_ac_a2c'
_aflow_params 'a,c/a,z_{1},z_{2},x_{3},z_{3},x_{4},z_{4},x_{5},z_{5}'
_aflow_params_values '8.0549870847,1.94761018001,0.007,0.75,0.109,0.257,0.676,0.114,0.676,0.4'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tI32'

_cell_length_a    8.0549870847
_cell_length_b    8.0549870847
_cell_length_c    15.6879748460
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "I 4 c m"
_symmetry_Int_Tables_number 108
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x,z
4 y,-x,z
5 -x,y,z+1/2
6 x,-y,z+1/2
7 y,x,z+1/2
8 -y,-x,z+1/2
9 x+1/2,y+1/2,z+1/2
10 -x+1/2,-y+1/2,z+1/2
11 -y+1/2,x+1/2,z+1/2
12 y+1/2,-x+1/2,z+1/2
13 -x+1/2,y+1/2,z
14 x+1/2,-y+1/2,z
15 y+1/2,x+1/2,z
16 -y+1/2,-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
Si1 Si   4 a 0.00000 0.00000 0.00700 1.00000
Sr1 Sr   4 a 0.00000 0.00000 0.75000 1.00000
Si2 Si   8 c 0.10900 0.60900 0.25700 1.00000
Sr2 Sr   8 c 0.67600 0.17600 0.11400 1.00000
Sr3 Sr   8 c 0.67600 0.17600 0.40000 1.00000
