# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Tungsten boride'
_chemical_formula_sum 'W2 B5'
 
loop_
_publ_author_name
 'Roland Kiessling'
_journal_name_full
;
Acta Chemica Scandinavica
;
_journal_volume 1
_journal_year 1947
_journal_page_first 893
_journal_page_last 916
_publ_Section_title
;
 The Crystal Structures of Molybdenum and Tungsten Borides
;

# Found in  Wyckoff, Vol. II, pp. 188-189

_aflow_proto 'A5B2_hP14_194_abdf_f' 
_aflow_params 'a,c/a,z4,z5' 
_aflow_params_values '2.982,4.651240778,0.528,0.139' 
_aflow_Strukturbericht 'D8_h' 
_aflow_Pearson 'hP14' 

_symmetry_space_group_name_Hall "-P 6c 2c"
_symmetry_space_group_name_H-M "P 63/m m c"
_symmetry_Int_Tables_number 194

_cell_length_a    2.98200
_cell_length_b    2.98200
_cell_length_c    13.87000
_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
13 -x,-y,-z
14 -x+y,-x,-z+1/2
15 y,-x+y,-z
16 x,y,-z+1/2
17 x-y,x,-z
18 -y,x-y,-z+1/2
19 -x+y,y,z
20 -x,-x+y,z+1/2
21 -y,-x,z
22 x-y,-y,z+1/2
23 x,x-y,z
24 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
B1 B   2 a 0.00000 0.00000 0.00000 1.00000
B2 B   2 b 0.00000 0.00000 0.25000 1.00000
B3 B   2 d 0.33333 0.66667 0.75000 1.00000
B4 B   4 f 0.33333 0.66667 0.52800 1.00000
W1 W   4 f 0.33333 0.66667 0.13900 1.00000
