data_global
_amcsd_formula_title 'Ba2 Ca1.07 Cu2 O8 Tl1.93'
loop_
_publ_author_name
'Maignan A'
'Michel C'
'Hervieu M'
'Martin C'
'Groult D'
'Raveau B'
_journal_name_full 'Modern Physics Letters'
_journal_volume B2 
_journal_year 1988
_journal_page_first 681
_journal_page_last 687
_publ_section_title
;
 Tl2Ba2CaCu2O8: structure and superconductivity
 _cod_database_code 1001420
;
_database_code_amcsd 0014653
_chemical_formula_sum '(Tl1.93 Ca1.07) Ba2 Cu2 O8'
_cell_length_a 3.86
_cell_length_b 3.86
_cell_length_c 29.388
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 437.869
_exptl_crystal_density_diffrn      7.335
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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   0.21470   0.90000
Ca1   0.50000   0.50000   0.21470   0.10000
Ba1   0.00000   0.00000   0.12200   1.00000
Ca2   0.00000   0.00000   0.00000   0.87000
Tl2   0.00000   0.00000   0.00000   0.13000
Cu1   0.50000   0.50000   0.05580   1.00000
O1   0.00000   0.50000   0.05300   1.00000
O2   0.50000   0.50000   0.14500   1.00000
O3   0.50000   0.50000   0.29700   1.00000