data_global
_chemical_name_mineral 'Barytocalcite'
loop_
_publ_author_name
'Gossner B'
'Mussgnug F'
_journal_name_full 'Zentralblatt fur Mineralogie und Geologie,'
_journal_volume A1930 
_journal_year 1930
_journal_page_first 321
_journal_page_last 328
_publ_section_title
;
 Beitrag zur Kenntnis des Barytocalcits und seiner strukturellen
 Beziehungen zu anderen Stoffen
 _cod_database_code 1010917
;
_database_code_amcsd 0017643
_chemical_formula_sum 'Ca Ba C2 O6'
_cell_length_a 8.15
_cell_length_b 5.22
_cell_length_c 6.58
_cell_angle_alpha 90
_cell_angle_beta 106.3
_cell_angle_gamma 90
_cell_volume 268.681
_exptl_crystal_density_diffrn      3.676
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.12500   0.00000   0.25000
Ba1   0.62500   0.00000   0.25000
C1   0.12500   0.00000   0.75000
C2   0.62500   0.00000   0.75000
O1   0.12500   0.30000   0.75000
O2   0.20000   0.85000   0.60000
O3   0.05000   0.85000   0.90000
O4   0.62500   0.70000   0.75000
O5   0.70000   0.15000   0.60000
O6   0.55000   0.15000   0.90000