# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'FeSb2'
_chemical_formula_sum 'Fe Sb2'

loop_
_publ_author_name
 'H. Holseth'
 'A. Kjekshus'
_journal_name_full_name
;
 Acta Chemica Scandinavica
;
_journal_volume 23
_journal_year 1969
_journal_page_first 3043
_journal_page_last 3050
_publ_Section_title
;
 Compounds with the Marcasite Type Crystal Structure. IV. The Crystal Structure of FeSb$_{2}$
;

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

_aflow_title 'FeSb$_{2}$ Structure'
_aflow_proto 'AB2_oP6_34_a_c'
_aflow_params 'a,b/a,c/a,z_{1},x_{2},y_{2},z_{2}'
_aflow_params_values '5.8327827022,1.12083390481,0.548158688784,0.5,0.6881,0.8565,0.0097'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP6'

_cell_length_a    5.8327827022
_cell_length_b    6.5375806120
_cell_length_c    3.1972905180
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P n n 2"
_symmetry_Int_Tables_number 34
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -x+1/2,y+1/2,z+1/2
4 x+1/2,-y+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 0.50000 1.00000
Sb1 Sb   4 c 0.68810 0.85650 0.00970 1.00000
