data_global
_amcsd_formula_title 'Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78'
loop_
_publ_author_name
'Ledesert M'
'Maignan A'
'Chardon J'
'Martin C'
'Labbe P'
'Hervieu M'
'Raveau B'
_journal_name_full 'Physica C'
_journal_volume 232 
_journal_year 1994
_journal_page_first 387
_journal_page_last 395
_publ_section_title
;
 (Tl, Bi) Sr2 Ca Cu2 O7 "1212" superconducting single crystal.
 A structural and magnetic study
 _cod_database_code 1001634
;
_database_code_amcsd 0015068
_chemical_formula_sum 'Tl.78 Bi.33 Ca.89 Sr2 Cu2 O7'
_cell_length_a 3.7922
_cell_length_b 3.7922
_cell_length_c 12.0661
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 173.520
_exptl_crystal_density_diffrn      6.492
_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   0.05750   0.00000   0.00000   0.16750
Bi1   0.05750   0.00000   0.00000   0.08250
Ca1   0.50000   0.50000   0.50000   0.89000
Tl2   0.50000   0.50000   0.50000   0.11000
Sr1   0.50000   0.50000   0.21700   1.00000
Cu1   0.00000   0.00000   0.36420   1.00000
O1   0.00000   0.50000   0.36930   1.00000
O2   0.00000   0.00000   0.16600   1.00000
O3   0.41100   0.41100   0.00000   0.25000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Tl1 0.03100 0.01370 0.00460 0.00000 0.00000 0.00000
Bi1 0.03100 0.01370 0.00460 0.00000 0.00000 0.00000
Ca1 0.00830 0.00830 0.00910 0.00000 0.00000 0.00000
Tl2 0.00830 0.00830 0.00910 0.00000 0.00000 0.00000
Sr1 0.01010 0.01010 0.01240 0.00000 0.00000 0.00000
Cu1 0.00580 0.00580 0.01060 0.00000 0.00000 0.00000
O1 0.01200 0.01000 0.01400 0.00000 0.00000 0.00000
O2 0.01600 0.01600 0.01000 0.00000 0.00000 0.00000
O3 0.01600 0.01600 0.02000 -0.01000 0.00000 0.00000