data_global
_amcsd_formula_title 'Nb2 O6 U0.5'
loop_
_publ_author_name
'Labeau M'
'Grey I'
'Coubert J'
'Chenevas J'
'Collomb A'
'Guitel J'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 41 
_journal_year 1985
_journal_page_first 33
_journal_page_last 41
_publ_section_title
;
 The structure of the a-cation deficient Perovskite U Nb4 O12
 _cod_database_code 1008281
;
_database_code_amcsd 0016203
_chemical_formula_sum 'U.5 Nb2 O6'
_cell_length_a 3.856
_cell_length_b 3.856
_cell_length_c 7.796
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 115.917
_exptl_crystal_density_diffrn      5.742
_symmetry_space_group_name_H-M 'P 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x,-z'
  '-y,x,z'
  'x,-y,z'
  '-x,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '-x,y,z'
  'x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
U1   0.00000   0.00000   0.00000   0.50000
Nb1   0.50000   0.50000   0.26110   1.00000
O1   0.50000   0.50000   0.00000   1.00000
O2   0.50000   0.50000   0.50000   1.00000
O3   0.00000   0.50000   0.22850   1.00000