data_global
_amcsd_formula_title 'Ba2 Ca Cu2 O7 Tl'
loop_
_publ_author_name
'Hervieu M'
'Maignan A'
'Martin C'
'Michel C'
'Provost J'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 75 
_journal_year 1988
_journal_page_first 212
_journal_page_last 215
_publ_section_title
;
 A New Member of the Thallium Superconductive Series. The "1212" Oxide
 Tl Ba2 Ca Cu2 O8-y: Importance of Oxygen Content
 _cod_database_code 1001367
;
_database_code_amcsd 0013619
_chemical_formula_sum 'Tl1.1 Ba2 Ca.9 Cu1.9 O7'
_cell_length_a 3.833
_cell_length_b 3.833
_cell_length_c 12.68
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 186.293
_exptl_crystal_density_diffrn      6.848
_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   0.50000   0.50000   0.50000   1.00000
Ba1   0.00000   0.00000   0.28700   1.00000
Tl2   0.00000   0.00000   0.00000   0.10000
Ca1   0.00000   0.00000   0.00000   0.90000
Cu1   0.50000   0.50000   0.13000   0.95000
O1   0.00000   0.50000   0.12500   1.00000
O2   0.50000   0.50000   0.32300   1.00000
O3   0.00000   0.00000   0.50000   1.00000