data_global
_amcsd_formula_title 'Ba2 Cu3 O7 Pr'
loop_
_publ_author_name
'Moran E'
'Amador U'
'Barahona M'
'Alario-Franco M'
'Vegas A'
'Rodriguez-Carvajal J'
_journal_name_full 'Physica C'
_journal_volume 153 
_journal_year 1988
_journal_page_first 423
_journal_page_last 424
_publ_section_title
;
 Ba2 (Pr^4+^).3 (Pr^3+^).7 (Cu^3+^).7 (Cu^2+^)2.3 O7:
 Crystal growth, structure and magnetic properties.
 _cod_database_code 1006001
;
_database_code_amcsd 0015009
_chemical_formula_sum 'Ba2 Pr Cu3 O7'
_cell_length_a 3.8918
_cell_length_b 3.8918
_cell_length_c 11.6484
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 176.428
_exptl_crystal_density_diffrn      6.760
_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
Ba1   0.50000   0.50000   0.18490   1.00000
Pr1   0.50000   0.50000   0.50000   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
Cu2   0.00000   0.00000   0.35010   1.00000
O1   0.00000   0.00000   0.15600   1.00000
O2   0.00000   0.50000   0.36760   1.00000
O3   0.00000   0.50000   0.00000   0.50000
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
Ba1 0.01050 0.01050 0.02320 0.00000 0.00000 0.00000
Pr1 0.00420 0.00420 0.00880 0.00000 0.00000 0.00000
Cu1 0.04080 0.04080 0.00380 0.00000 0.00000 0.00000
Cu2 0.00180 0.00180 0.00880 0.00000 0.00000 0.00000
O1 0.12580 0.12580 0.01020 0.00000 0.00000 0.00000
O2 0.00640 0.00490 0.01550 0.00000 0.00000 0.00000
O3 0.25140 0.25140 0.00760 0.00000 0.00000 0.00000