# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Ru2Sn3'
_chemical_formula_sum 'Ru2 Sn3'

loop_
_publ_author_name
 'O. Schwomma'
 'H. Nowotny'
 'A. Wittmann'
_journal_name_full_name
;
 Monatshefte f{\"u}r Chemie - Chemical Monthly
;
_journal_volume 95
_journal_year 1964
_journal_page_first 1538
_journal_page_last 1543
_publ_Section_title
;
 Untersuchungen im System: Ru--Sn
;

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

_aflow_title 'Ru$_{2}$Sn$_{3}$ Structure'
_aflow_proto 'A2B3_tP20_116_bci_fj'
_aflow_params 'a,c/a,x_{3},z_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '6.1720115185,1.606448477,0.177,0.625,0.655,0.216,0.582'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP20'

_cell_length_a    6.1720115185
_cell_length_b    6.1720115185
_cell_length_c    9.9150185039
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P -4 c 2"
_symmetry_Int_Tables_number 116
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,-x,-z+1/2
4 y,x,-z+1/2
5 -x,y,z+1/2
6 x,-y,z+1/2
7 y,-x,-z
8 -y,x,-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
Ru1 Ru   2 b 0.50000 0.50000 0.25000 1.00000
Ru2 Ru   2 c 0.00000 0.00000 0.00000 1.00000
Sn1 Sn   4 f 0.17700 0.17700 0.75000 1.00000
Ru3 Ru   4 i 0.00000 0.50000 0.62500 1.00000
Sn2 Sn   8 j 0.65500 0.21600 0.58200 1.00000
