data_global
_chemical_name_mineral 'Baryte'
loop_
_publ_author_name
'Colville A A'
'Staudhammer K'
_journal_name_full 'American Mineralogist'
_journal_volume 52
_journal_year 1967
_journal_page_first 1877
_journal_page_last 1880
_publ_section_title
;
 A refinement of the structure of barite
 from Cow Green mine
;
_database_code_amcsd 164
_chemical_formula_sum 'Ba S O4'
_cell_length_a 8.884
_cell_length_b 5.458
_cell_length_c 7.153
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 346.841
_exptl_crystal_density_diffrn  4.47
_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
Ba   0.1846  0.25  0.1581  0.00861
S   0.437  0.75  0.1914  0.00469
O1   0.5878  0.75  0.1062  0.01976
O2   0.3192  0.75  0.0515  0.02064
O3   0.4186  0.9702  0.319  0.01077