# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Nb O'
 
loop_
_publ_author_name
 'A. L. Bowman'
 'T. C. Wallace'
 'J. L. Yarnell'
 'R. G. Wenzel'
_journal_name_full
;
Acta Crystallographica
;
_journal_volume 21
_journal_year 1966
_journal_page_first 843
_journal_page_last 843
_publ_Section_title
;
 The crystal structure of niobium monoxide
;

# Found in  Pearson's Handbook, Vol. IV, pp. 4535

_aflow_proto 'AB_cP6_221_c_d' 
_aflow_params 'a' 
_aflow_params_values '4.2101' 
_aflow_Strukturbericht 'None' 
_aflow_Pearson 'cP6' 

_symmetry_space_group_name_Hall "-P 4 2 3"
_symmetry_space_group_name_H-M "P m -3 m"
_symmetry_Int_Tables_number 221

_cell_length_a    4.21010
_cell_length_b    4.21010
_cell_length_c    4.21010
_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,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
13 -y,-x,-z
14 -y,x,z
15 y,-x,z
16 y,x,-z
17 -x,-z,-y
18 -x,z,y
19 x,-z,y
20 x,z,-y
21 -z,-y,-x
22 -z,y,x
23 z,-y,x
24 z,y,-x
25 -x,-y,-z
26 -x,y,z
27 x,-y,z
28 x,y,-z
29 -y,-z,-x
30 -y,z,x
31 y,-z,x
32 y,z,-x
33 -z,-x,-y
34 -z,x,y
35 z,-x,y
36 z,x,-y
37 y,x,z
38 y,-x,-z
39 -y,x,-z
40 -y,-x,z
41 x,z,y
42 x,-z,-y
43 -x,z,-y
44 -x,-z,y
45 z,y,x
46 z,-y,-x
47 -z,y,-x
48 -z,-y,x
 
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
Nb1 Nb   3 c 0.00000 0.50000 0.50000 1.00000
O1  O    3 d 0.50000 0.00000 0.00000 1.00000
