data_global
_amcsd_formula_title 'Ba2 Cu2 Nd O6.96 Tl0.96'
loop_
_publ_author_name
'Michel C'
'Suard E'
'Caignaert V'
'Martin C'
'Maignan A'
'Hervieu M'
'Raveau B'
_journal_name_full 'Physica C'
_journal_volume 178 
_journal_year 1991
_journal_page_first 29
_journal_page_last 36
_publ_section_title
;
 Neutron diffraction structure determination of the "1212"-series
 TlBa2Ca1-xNdxCu2O7-d
 _cod_database_code 1001486
;
_database_code_amcsd 0015024
_chemical_formula_sum 'Tl.96 Ba2 Nd Cu2 O6.96'
_cell_length_a 3.91021
_cell_length_b 3.91021
_cell_length_c 12.4916
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 190.993
_exptl_crystal_density_diffrn      7.421
_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
Tl1   0.07170   0.00000   0.00000   0.24000
Ba1   0.50000   0.50000   0.20550   1.00000
Nd1   0.50000   0.50000   0.50000   1.00000
Cu1   0.00000   0.00000   0.36330   1.00000
O1   0.00000   0.50000   0.37850   1.00000
O2   0.00000   0.00000   0.16620   1.00000
O3   0.61990   0.50000   0.00000   0.24000