data_global
_chemical_name_mineral 'Mullite'
loop_
_publ_author_name
'Fischer R X'
'Schneider H'
'Schmucker M'
_journal_name_full 'American Mineralogist'
_journal_volume 79 
_journal_year 1994
_journal_page_first 983
_journal_page_last 990
_publ_section_title
;
 Crystal structure of Al-rich mullite
;
_database_code_amcsd 0001673
_chemical_formula_sum 'Al2.826 Si.174 O4.588'
_cell_length_a 7.7391
_cell_length_b 7.6108
_cell_length_c 2.9180
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 171.872
_exptl_crystal_density_diffrn      2.986
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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_occupancy
_atom_site_U_iso_or_equiv
Al   0.00000   0.00000   0.00000   1.00000   0.02444
AlT   0.14790   0.33170   0.50000   0.50000   0.00203
SiT   0.14790   0.33170   0.50000   0.08700   0.00203
Al*   0.25900   0.22030   0.50000   0.29400   0.00633
Al**   0.33500   0.10300   0.50000   0.11900   0.03800
Oab   0.35390   0.42090   0.50000   1.00000   0.02406
Oc   0.47000   0.02800   0.50000   0.29400   0.05319
Od   0.13360   0.21640   0.00000   1.00000   0.03673