data_global
_chemical_name_mineral 'Sinhalite'
loop_
_publ_author_name
'Fang J H'
'Newnham R E'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 35 
_journal_year 1965
_journal_page_first 196
_journal_page_last 199
_publ_section_title
;
 The crystal structure of sinhalite
;
_database_code_amcsd 0014441
_chemical_compound_source 'Sri Lanka'
_chemical_formula_sum 'Al Mg B O4'
_cell_length_a 9.878
_cell_length_b 5.675
_cell_length_c 4.328
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 242.618
_exptl_crystal_density_diffrn      3.452
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+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
Al   0.00000   0.00000   0.00000   0.00076
Mg   0.27620   0.25000  -0.01640   0.00203
B   0.08840   0.25000   0.40570   0.00127
O1   0.07980   0.25000   0.74180   0.00317
O2   0.44500   0.25000   0.25590   0.00266
O3   0.14870   0.04100   0.26580   0.00279