data_global
_amcsd_formula_title 'Ba2 Ca0.24 Cu2.76 Fe0.24 O6 Y0.76'
loop_
_publ_author_name
'Suard E'
'Caignaert V'
'Maignan A'
'Raveau B'
_journal_name_full 'Physica C'
_journal_volume 182 
_journal_year 1991
_journal_page_first 219
_journal_page_last 227
_publ_section_title
;
 The important role of pyramidal copper layers of the 123-structure in
 superconductivity. The oxides Ba2Y1-xCaxCu3-xFexO7 and
 Ba2Y1-xCaxCu3-xFexO6
 _cod_database_code 1001495
;
_database_code_amcsd 0015034
_chemical_formula_sum '(Y.76 Ca.24) Ba2 Cu2.76 Fe.24 O6'
_cell_length_a 3.8616
_cell_length_b 3.8616
_cell_length_c 11.8163
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 176.204
_exptl_crystal_density_diffrn      6.000
_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
Y1   0.50000   0.50000   0.50000   0.76000
Ca1   0.50000   0.50000   0.50000   0.24000
Ba1   0.50000   0.50000   0.19570   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
Cu2   0.00000   0.00000   0.36100   0.88000
Fe1   0.00000   0.00000   0.36100   0.12000
O1   0.00000   0.50000   0.37750   1.00000
O2   0.00000   0.00000   0.15260   1.00000