data_global
_chemical_name_mineral 'Barioperovskite'
loop_
_publ_author_name
'Shirane G'
'Danner H'
'Pepinsky R'
_journal_name_full 'Physical Review'
_journal_volume 105 
_journal_year 1957
_journal_page_first 856
_journal_page_last 860
_publ_section_title
;
 Neutron diffraction study of orthorhombic BaTiO3
 Note: orthorhombic structure
;
_database_code_amcsd 0018581
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ba Ti O3'
_cell_length_a 3.990
_cell_length_b 5.669
_cell_length_c 5.682
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 128.523
_exptl_crystal_density_diffrn      6.026
_symmetry_space_group_name_H-M 'A m m 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  'x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,y,z'
  '-x,1/2+y,1/2+z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba   0.00000   0.00000   0.00000
Ti   0.50000   0.00000   0.51000
O1   0.00000   0.00000   0.49000
O2   0.50000   0.25300   0.23700