data_global
_amcsd_formula_title 'Ba2 Cu3 La O6.7'
loop_
_publ_author_name
'Hervieu M'
'Nguyen N'
'Michel C'
'Deslandes F'
'Raveau B'
_journal_name_full 'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_volume 305 
_journal_year 1987
_journal_page_first 1063
_journal_page_last 1068
_publ_section_title
;
 A preliminary X-ray diffraction study of the tetragonal superconducting
 oxide La Ba2 Cu3 O7-d
 _cod_database_code 1001677
;
_database_code_amcsd 0012300
_chemical_formula_sum 'La Ba2 Cu3 O6.65'
_cell_length_a 3.895
_cell_length_b 3.895
_cell_length_c 11.727
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 177.911
_exptl_crystal_density_diffrn      6.632
_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
La1   0.50000   0.50000   0.50000   1.00000
Ba1   0.50000   0.50000   0.18460   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
Cu2   0.00000   0.00000   0.35210   1.00000
O1   0.00000   0.00000   0.17200   0.32500
O2   0.00000   0.50000   0.38490   1.00000
O3   0.50000   0.00000   0.00000   1.00000