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 1009061
;
_database_code_amcsd 0016922
_chemical_formula_sum 'Nb Se3'
_cell_length_a 9.984
_cell_length_b 3.4831
_cell_length_c 15.591
_cell_angle_alpha 90
_cell_angle_beta 109.47
_cell_angle_gamma 90
_cell_volume 511.177
_exptl_crystal_density_diffrn      6.428
_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   0.65200   0.25000   0.11770
Nb2   0.68700   0.25000   0.79460
Nb3   0.29600   0.25000   0.46110
Se1   0.55600   0.25000   0.93360
Se2   0.17000   0.25000   0.91240
Se3   0.19700   0.25000   0.76170
Se4   0.16200   0.25000   0.08610
Se5   0.17800   0.25000   0.27700
Se6   0.53000   0.25000   0.25070
Se7   0.91500   0.25000   0.57480
Se8   0.55700   0.25000   0.59390
Se9   0.75500   0.25000   0.42340