data_global
_amcsd_formula_title 'Hf0.4 O3 Pb Ti0.6'
loop_
_publ_author_name
'Muller C'
'Baudour J'
'Madigou V'
'Bouree F'
'Kiat J'
'Favotto C'
'Roubin M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 55 
_journal_year 1999
_journal_page_first 8
_journal_page_last 16
_publ_section_title
;
 Temperature-dependent neutron powder diffraction evidence for splitting
 of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3
 _cod_database_code 1009025
;
_database_code_amcsd 0016887
_chemical_formula_sum 'Pb Hf.42 Ti.58 O3'
_cell_length_a 3.999
_cell_length_b 3.999
_cell_length_c 4.120
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 65.887
_exptl_crystal_density_diffrn      9.021
_symmetry_space_group_name_H-M 'P 4 m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  '-y,x,z'
  'x,-y,z'
  '-x,-y,z'
  'y,x,z'
  'y,-x,z'
  '-x,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1   0.00000   0.00000   0.00000   1.00000
Hf1   0.50000   0.50000   0.53900   0.42000
Ti1   0.50000   0.50000   0.49900   0.58000
O1   0.50000   0.50000   0.09500   1.00000
O2   0.50000   0.00000   0.61500   1.00000