data_global
_amcsd_formula_title 'Ba2 Cu3 O6.8 Y'
loop_
_publ_author_name
'Beech F'
'Miraglia S'
'Santoro A'
'Roth R'
_journal_name_full 'Physical Review'
_journal_volume B35 
_journal_year 1987
_journal_page_first 8778
_journal_page_last 8781
_publ_section_title
;
 Neutron study of the crystal structure and vacancy distribution in the
 superconductor Ba2YCu3O9-d
 _cod_database_code 1008352
;
_database_code_amcsd 0016263
_chemical_formula_sum 'Ba2 Y Cu3 O6.8'
_cell_length_a 3.8174
_cell_length_b 3.8804
_cell_length_c 11.6520
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 172.602
_exptl_crystal_density_diffrn      6.378
_symmetry_space_group_name_H-M 'P m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,z'
  '-x,y,-z'
  '-x,y,z'
  'x,-y,-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
Ba1   0.50000   0.50000   0.18540   1.00000
Y1   0.50000   0.50000   0.50000   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
Cu2   0.00000   0.00000   0.35590   1.00000
O1   0.00000   0.00000   0.15850   1.00000
O2   0.50000   0.00000   0.37770   1.00000
O3   0.00000   0.50000   0.37780   1.00000
O4   0.00000   0.50000   0.00000   0.80000