data_global
_chemical_name_mineral 'Scandium'
loop_
_publ_author_name
'Vohra Y K'
'Grosshans W'
'Holzapfel W B'
_journal_name_full 'Physical Review'
_journal_volume B25 
_journal_year 1982
_journal_page_first 6019
_journal_page_last 6021
_publ_section_title
;
 High-pressure phase transformation in scandium
 Sample: at P = 33.5 GPa
;
_database_code_amcsd 0015168
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Sc'
_cell_length_a 4.73
_cell_length_b 4.73
_cell_length_c 3.18
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 71.146
_exptl_crystal_density_diffrn      4.197
_symmetry_space_group_name_H-M 'P 4/n m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  'y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  'x,-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '-y,-x,-z'
  '-y,x,-z'
  '1/2+y,1/2-x,z'
  '-x,y,z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sc1   0.00000   0.00000   0.00000
Sc2   0.00000   0.50000   0.62500