# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'NbAs'
_chemical_formula_sum 'As Nb'

loop_
_publ_author_name
 'S. Furuseth'
 'A. Kjekshus'
_journal_name_full_name
;
 Acta Chemica Scandinavica
;
_journal_volume 18
_journal_year 1964
_journal_page_first 1180
_journal_page_last 1195
_publ_Section_title
;
 On the Arsenides and Antimonides of Niobium
;

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

_aflow_title 'NbAs Structure'
_aflow_proto 'AB_tI8_109_a_a'
_aflow_params 'a,c/a,z_{1},z_{2}'
_aflow_params_values '3.4517145504,3.38383984705,0.416,0.0'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tI8'

_cell_length_a    3.4517145504
_cell_length_b    3.4517145504
_cell_length_c    11.6800492363
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "I 41 m d"
_symmetry_Int_Tables_number 109
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x+1/2,z+1/4
4 y,-x+1/2,z+1/4
5 -x,y,z
6 x,-y,z
7 y,x+1/2,z+1/4
8 -y,-x+1/2,z+1/4
9 x+1/2,y+1/2,z+1/2
10 -x+1/2,-y+1/2,z+1/2
11 -y+1/2,x,z+3/4
12 y+1/2,-x,z+3/4
13 -x+1/2,y+1/2,z+1/2
14 x+1/2,-y+1/2,z+1/2
15 y+1/2,x,z+3/4
16 -y+1/2,-x,z+3/4
 
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
As1 As   4 a 0.00000 0.00000 0.41600 1.00000
Nb1 Nb   4 a 0.00000 0.00000 0.00000 1.00000
