data_global
_amcsd_formula_title 'Li0.795 Nb O2'
loop_
_publ_author_name
'Bordet P'
'Moshopoulou E'
'Liesert S'
'Capponi J'
_journal_name_full 'Physica C'
_journal_volume 235 
_journal_year 1994
_journal_page_first 745
_journal_page_last 746
_publ_section_title
;
 Structure and physical properties of Li(1-x) Nb O2 single crystals
 _cod_database_code 1008672
;
_database_code_amcsd 0016558
_chemical_formula_sum 'Li.795 Nb O2'
_cell_length_a 2.9239
_cell_length_b 2.9239
_cell_length_c 20.91299
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 154.836
_exptl_crystal_density_diffrn      5.595
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li1   0.00000   0.00000   0.00000   1.00000
Li2   0.00000   0.00000   0.50000   0.50000
Li3   0.00000   0.00000   0.24800   0.84000
Nb1   0.33333   0.66667   0.37410   1.00000
Nb2   0.33333   0.66667   0.87550   1.00000
O1   0.33333   0.66667   0.05800   1.00000
O2   0.33333   0.66667   0.68000   1.00000
O3   0.33333   0.66667   0.18800   1.00000
O4   0.33333   0.66667   0.57200   1.00000