data_global
_amcsd_formula_title 'Ca Cu2 La2 O6.037'
loop_
_publ_author_name
'Fuertes A'
'Obradors X'
'Navarro J'
'Gomez-Romero P'
'Casan-Pastor N'
'Perez F'
'Fontcuberta J'
'Miravitlles C'
'Rodriguez-Carvajal J'
'Martinez B'
_journal_name_full 'Physica C'
_journal_volume 170 
_journal_year 1990
_journal_page_first 153
_journal_page_last 160
_publ_section_title
;
 Oxygen excess and superconductivity at 45 K in La2 Ca Cu2 O6+y
 _cod_database_code 1006107
;
_database_code_amcsd 0015020
_chemical_formula_sum '(Ca La2) Cu2 O6.037'
_cell_length_a 3.82820
_cell_length_b 3.82820
_cell_length_c 19.4498
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 285.039
_exptl_crystal_density_diffrn      6.310
_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
Ca1   0.00000   0.00000   0.00000   0.77000
La1   0.00000   0.00000   0.00000   0.23000
La2   0.00000   0.00000   0.17560   0.88500
Ca2   0.00000   0.00000   0.17560   0.11500
Cu1   0.00000   0.00000   0.58530   1.00000
O1   0.00000   0.50000   0.08210   1.00000
O2   0.00000   0.00000   0.70400   1.00000
O3   0.00000   0.00000   0.50000   0.03700