# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'NbTe2'
_chemical_formula_sum 'Nb Te2'

loop_
_publ_author_name
 'B. E. Brown'
_journal_name_full_name
;
 Acta Cristallographica
;
_journal_volume 20
_journal_year 1966
_journal_page_first 264
_journal_page_last 267
_publ_Section_title
;
 The Crystal Structures of NbTe$_{2}$ and TaTe$_{2}$
;

# Found in Pearson's Handbook of Crystallographic Data for Intermetallic Phases, 1991

_aflow_title 'NbTe$_{2}$ Structure'
_aflow_proto 'AB2_mC18_12_ai_3i'
_aflow_params 'a,b/a,c/a,\beta,x_{2},z_{2},x_{3},z_{3},x_{4},z_{4},x_{5},z_{5}'
_aflow_params_values '14.73541,0.247159732915,0.636222541483,110.41211,0.36025,0.7087,0.3503,-0.0096,0.703,0.6208,0.0039,0.3098'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'mC18'

_symmetry_space_group_name_H-M "C 1 2/m 1"
_symmetry_Int_Tables_number 12
 
_cell_length_a    14.73541
_cell_length_b    3.64200
_cell_length_c    9.37500
_cell_angle_alpha 90.00000
_cell_angle_beta  110.41211
_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 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z
 
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 2 a 0.00000 0.00000 0.00000 1.00000
Nb2 Nb 4 i 0.36025 0.00000 0.70870 1.00000
Te1 Te 4 i 0.35030 0.00000 -0.00960 1.00000
Te2 Te 4 i 0.70300 0.00000 0.62080 1.00000
Te3 Te 4 i 0.00390 0.00000 0.30980 1.00000