data_global
_chemical_name_mineral 'Andalusite'
loop_
_publ_author_name
'Burt J B'
'Ross N L'
'Angel R J'
'Koch M'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 319
_journal_page_last 326
_publ_section_title
;
 Equations of state and structures of andalusite
 to 9.8 GPa and sillimanite to 8.5 GPa
 Sample: P = 7.565 GPa
;
_database_code_amcsd 0004120
_chemical_compound_source 'Minas Gerais, Brazil'
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.6313
_cell_length_b 7.78625
_cell_length_c 5.50175
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 326.910
_exptl_crystal_density_diffrn      3.292
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,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,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '-x,-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
Al1   0.00000   0.00000   0.24180   0.00380
Al2   0.36940   0.13780   0.50000   0.00456
Si   0.24710   0.24850   0.00000   0.00469
OA   0.41940   0.36210   0.50000   0.00494
OB   0.42900   0.35680   0.00000   0.00469
OC   0.10380   0.39900   0.00000   0.00811
OD   0.22910   0.12900   0.23910   0.00469