# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Fe3 Th7'

loop_
_publ_author_name
 'J. V. Florio'
 'N. C. Baenziger'
 'R. E. Rundle'
_journal_name_full_name
;
 Acta Cristallographica
;
_journal_volume 9
_journal_year 1956
_journal_page_first 367
_journal_page_last 372
_publ_Section_title
;
 Compounds of thorium with transition metals. II. Systems with iron, cobalt and nickel
;

# Found in Inorganic Crystal Structure Database, {ID 401657},

_aflow_title 'Fe$_{3}$Th$_{7}$ ($D10_{2}$) Structure'
_aflow_proto 'A3B7_hP20_186_c_b2c'
_aflow_params 'a,c/a,z_{1},x_{2},z_{2},x_{3},z_{3},x_{4},z_{4}'
_aflow_params_values '9.85,0.624365482234,0.06,0.815,0.31,0.126,0.25,0.544,0.31'
_aflow_Strukturbericht '$D10_{2}$'
_aflow_Pearson 'hP20'

_symmetry_space_group_name_H-M "P 63 m c"
_symmetry_Int_Tables_number 186
 
_cell_length_a    9.85000
_cell_length_b    9.85000
_cell_length_c    6.15000
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+1/2
3 -y,x-y,z
4 -x,-y,z+1/2
5 -x+y,-x,z
6 y,-x+y,z+1/2
7 -x+y,y,z
8 -x,-x+y,z+1/2
9 -y,-x,z
10 x-y,-y,z+1/2
11 x,x-y,z
12 y,x,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
Th1 Th   2 b 0.33333 0.66667 0.06000 1.00000
Fe1 Fe   6 c 0.81500 0.18500 0.31000 1.00000
Th2 Th   6 c 0.12600 0.87400 0.25000 1.00000
Th3 Th   6 c 0.54400 0.45600 0.31000 1.00000
