data_global
_amcsd_formula_title 'Ca0.91 Cu2 O7 Pb0.5 Sr2 Tl0.59'
loop_
_publ_author_name
'Martin C'
'Provost J'
'Bourgault D'
'Domenges B'
'Michel C'
'Hervieu M'
'Raveau B'
_journal_name_full 'Physica C'
_journal_volume 157 
_journal_year 1989
_journal_page_first 460
_journal_page_last 468
_publ_section_title
;
 Structural peculiarities of the "1212" superconductor Tl.5Pb.5Sr2CaCu2O5
 _cod_database_code 1001411
;
_database_code_amcsd 0015013
_chemical_formula_sum 'Tl.59 Pb.5 Ca.91 Sr2 Cu2 O7'
_cell_length_a 3.795
_cell_length_b 3.795
_cell_length_c 12.094
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 174.178
_exptl_crystal_density_diffrn      6.435
_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   0.48000
Pb1   0.50000   0.50000   0.50000   0.50000
Ca1   0.50000   0.50000   0.50000   0.02000
Sr1   0.00000   0.00000   0.28080   1.00000
Ca2   0.00000   0.00000   0.00000   0.89000
Tl2   0.00000   0.00000   0.00000   0.11000
Cu1   0.50000   0.50000   0.13500   1.00000
O1   0.00000   0.50000   0.13500   1.00000
O2   0.50000   0.50000   0.30500   1.00000
O3   0.08000   0.08000   0.50000   0.25000