data_global
_amcsd_formula_title 'La3 Nb O7'
loop_
_publ_author_name
'Kahn-Harari A'
'Mazerolles L'
'Michel D'
'Robert F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 116 
_journal_year 1995
_journal_page_first 103
_journal_page_last 106
_publ_section_title
;
 Structural description of La3 Nb O7
 _cod_database_code 1001651
;
_database_code_amcsd 0013862
_chemical_formula_sum 'La3 Nb O7'
_cell_length_a 7.747
_cell_length_b 11.149
_cell_length_c 7.611
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 657.372
_exptl_crystal_density_diffrn      6.281
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
La1   0.25060   0.47590   0.44940
La2   0.00160   0.25000   0.76680
Nb1   0.98890   0.25000   0.25160
O1   0.96000   0.37680   0.42330
O2   0.24870   0.25000   0.31860
O3   0.24910   0.38110   0.72420
O4   0.96370   0.87360   0.93920