data_global
_amcsd_formula_title 'Nb Se3'
loop_
_publ_author_name
'Hodeau J'
'Marezio M'
'Roucau C'
'Ayroles R'
'Meerschaut A'
'Rouxel J'
'Monceau P'
_journal_name_full 'Journal of Physics C: Solid State Physics'
_journal_volume 11 
_journal_year 1978
_journal_page_first 4117
_journal_page_last 4134
_publ_section_title
;
 Charge density waves in Nb Se3 at 145 K: Crystal structures x-ray and
 electron diffraction studies
 _cod_database_code 1009037
;
_database_code_amcsd 0016898
_chemical_formula_sum 'Nb Se3'
_cell_length_a 10.009
_cell_length_b 3.4805
_cell_length_c 15.629
_cell_angle_alpha 90
_cell_angle_beta 109.47
_cell_angle_gamma 90
_cell_volume 513.323
_exptl_crystal_density_diffrn      6.401
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nb1   0.65320   0.25000   0.11850
Nb2   0.31620   0.75000   0.20590
Nb3   0.29420   0.25000   0.46130
Se1   0.44210   0.75000   0.06650
Se2   0.83440   0.75000   0.08770
Se3   0.80350   0.75000   0.23900
Se4   0.16440   0.25000   0.08690
Se5   0.17880   0.25000   0.27590
Se6   0.52730   0.25000   0.24880
Se7   0.08260   0.75000   0.42460
Se8   0.44410   0.75000   0.40540
Se9   0.24430   0.75000   0.57550