data_global
_chemical_name_mineral 'Witherite'
loop_
_publ_author_name
'Colby M'
'la Coste J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 90 
_journal_year 1935
_journal_page_first 1
_journal_page_last 7
_publ_section_title
;
 The crystal structure of witherite.
 _cod_database_code 1011149
;
_database_code_amcsd 0018034
_chemical_formula_sum 'Ba C O3'
_cell_length_a 5.28
_cell_length_b 8.83
_cell_length_c 6.39
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 297.917
_exptl_crystal_density_diffrn      4.400
_symmetry_space_group_name_H-M 'P m c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,y,z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2+y,-z'
  '-x,1/2-y,1/2+z'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2+y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.00000   0.41700   0.00200
C1   0.00000   0.75000   0.15500
O1   0.00000   0.88900   0.15500
O2   0.20200   0.68000   0.15500