data_global
_chemical_name_mineral 'Srilankite'
loop_
_publ_author_name
'Bordet P'
'McHale A'
'Santoro A'
'Roth R'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 64 
_journal_year 1986
_journal_page_first 30
_journal_page_last 46
_publ_section_title
;
 Powder neutron diffraction study of ZrTiO4, Zr5Ti7O24, and FeNb2O6
 _cod_database_code 1008790
;
_database_code_amcsd 0016662
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Zr.5 Ti.5) O2'
_cell_length_a 4.8042
_cell_length_b 5.4825
_cell_length_c 5.0313
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 132.520
_exptl_crystal_density_diffrn      5.090
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zr   0.00000   0.26500   0.25000   0.50000
Ti   0.00000   0.26500   0.25000   0.50000
O   0.27040   0.10040   0.07000   1.00000