data_global
_amcsd_formula_title 'Ca0.81 Cu2 O7 Sr2 Tl1.19'
loop_
_publ_author_name
'Martin C'
'Maignan A'
'Labbe P'
'Chardon J'
'Hejtmanek J'
'Raveau B'
_journal_name_full 'Chemistry of Materials'
_journal_volume 7 
_journal_year 1995
_journal_page_first 1414
_journal_page_last 1418
_publ_section_title
;
 Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d
 _cod_database_code 1001667
;
_database_code_amcsd 0012205
_chemical_formula_sum 'Tl1.19 Ca.81 Sr2 Cu2 O7'
_cell_length_a 3.7808
_cell_length_b 3.7808
_cell_length_c 12.0855
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 172.756
_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
Tl1   0.07010   0.00000   0.00000   0.25000
Ca1   0.50000   0.50000   0.50000   0.81000
Tl2   0.50000   0.50000   0.50000   0.19000
Sr1   0.50000   0.50000   0.21300   1.00000
Cu1   0.00000   0.00000   0.36220   1.00000
O1   0.00000   0.50000   0.37090   1.00000
O2   0.00000   0.00000   0.16670   1.00000
O3   0.50000   0.50000   0.00000   1.00000