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 = 5.441 GPa
;
_database_code_amcsd 0004119
_chemical_compound_source 'Minas Gerais, Brazil'
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.6704
_cell_length_b 7.81452
_cell_length_c 5.51589
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 330.625
_exptl_crystal_density_diffrn      3.255
_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   0.24170   0.00380
Al2   0.36950   0.13774   0.50000   0.00380
Si   0.24750   0.24974   0.00000   0.00380
OA   0.42030   0.36330   0.50000   0.00418
OB   0.42870   0.35840   0.00000   0.00418
OC   0.10377   0.39990   0.00000   0.00950
OD   0.22920   0.13030   0.23990   0.00494