# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Stannite'
_chemical_formula_sum 'Cu2 Fe S4 Sn'
 
loop_
_publ_author_name
 'L. O. Brockway'
_journal_name_full
;
Zeitschrift f\"{u}r Kristallographie - Crystalline Materials
;
_journal_volume 89
_journal_year 1934
_journal_page_first 434
_journal_page_last 441
_publ_Section_title
;
 The Crystal Structure of Stannite, Cu$_2$FeSnS$_4$
;

_aflow_proto 'A2BC4D_tI16_121_d_a_i_b' 
_aflow_params 'a,c/a,x4,z4' 
_aflow_params_values '5.46,1.96428571429,0.245,0.132' 
_aflow_Strukturbericht 'H2_6' 
_aflow_Pearson 'tI16' 

_symmetry_space_group_name_Hall "I -4 2"
_symmetry_space_group_name_H-M "I -4 2 m"
_symmetry_Int_Tables_number 121

_cell_length_a    5.46000
_cell_length_b    5.46000
_cell_length_c    10.72500
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,x,z
6 y,-x,-z
7 -y,x,-z
8 -y,-x,z
9 x+1/2,y+1/2,z+1/2
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+1/2
13 y+1/2,x+1/2,z+1/2
14 y+1/2,-x+1/2,-z+1/2
15 -y+1/2,x+1/2,-z+1/2
16 -y+1/2,-x+1/2,z+1/2
 
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
Fe1 Fe   2 a 0.00000 0.00000 0.00000 1.00000
Sn1 Sn   2 b 0.00000 0.00000 0.50000 1.00000
Cu1 Cu   4 d 0.00000 0.50000 0.25000 1.00000
S1  S    8 i 0.24500 0.24500 0.13200 1.00000
