data_global
_chemical_name_mineral 'Staurolite'
loop_
_publ_author_name
'Smith J V'
_journal_name_full 'American Mineralogist'
_journal_volume 53
_journal_year 1968
_journal_page_first 1139
_journal_page_last 1155
_publ_section_title
;
 The crystal structure of staurolite
;
_database_code_amcsd 181
_chemical_formula_sum 'Fe.741 Al4.374 Ti.037 Si1.856 Mg.196 Mn.019 O12'
_cell_length_a 7.8713
_cell_length_b 16.6204
_cell_length_c 5.656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 739.941
_exptl_crystal_density_diffrn  3.69
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe   0.39281  0.0  0.24815  0.586  0.01279
Al   0.39281  0.0  0.24815  0.293  0.01279
Ti   0.39281  0.0  0.24815  0.037  0.01279
Si   0.13414  0.16612  0.24902  0.928  0.00317
Al   0.13414  0.16612  0.24902  0.063  0.00317
Al1A   0.5  0.17511  0.0  0.926  0.00367
Mg1A   0.5  0.17511  0.0  0.049  0.00367
Al1B   0.5  0.17477  0.5  0.929  0.00393
Mg1B   0.5  0.17477  0.5  0.049  0.00393
Al2   0.26356  0.41042  0.25122  0.933  0.00456
Mg2   0.26356  0.41042  0.25122  0.049  0.00456
Al3A   0.0  0.0  0.0  0.278  0.00545
Fe3A   0.0  0.0  0.0  0.137  0.00545
Al3B   0.0  0.0  0.5  0.189  0.00519
Fe3B   0.0  0.0  0.5  0.093  0.00519
Fe1   0.5  0.0  0.0  0.054  0.00507
Mn1   0.5  0.0  0.0  0.026  0.00507
Fe2   0.5  0.0  0.5  0.026  0.00507
Mn2   0.5  0.0  0.5  0.012  0.00507
O1A   0.23274  0.0  0.96313  1.0  0.00861
O1B   0.23438  0.0  0.53428  1.0  0.00874
O2A   0.25569  0.16153  0.01527  1.0  0.00621
O2B   0.25519  0.16127  0.48391  1.0  0.00621
O3   0.00143  0.08917  0.24702  1.0  0.00747
O4   0.02156  0.24925  0.24925  1.0  0.0057
O5   0.52741  0.10004  0.24944  1.0  0.00532