data_global
_amcsd_formula_title 'ScAlO3'
loop_
_publ_author_name
'Ross N L'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 25 
_journal_year 1998
_journal_page_first 597
_journal_page_last 602
_publ_section_title
;
 High pressure study of ScAlO3 perovskite
 Sample: P = 3.21 GPa
;
_database_code_amcsd 0008164
_chemical_formula_sum 'Sc Al O3'
_cell_length_a 4.9149
_cell_length_b 5.2121
_cell_length_c 7.1620
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 183.469
_exptl_crystal_density_diffrn      4.342
_symmetry_space_group_name_H-M 'P b n m'
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,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sc   0.97980   0.07020   0.25000   0.00747
Al   0.00000   0.50000   0.00000   0.00684
O1   0.12100   0.45560   0.25000   0.00747
O2   0.69070   0.30570   0.06090   0.00785