data_global
_chemical_name_mineral 'Barytocalcite'
loop_
_publ_author_name
'Alm K F'
_journal_name_full 'Arkiv for Mineralogi och Geologi'
_journal_volume 2 
_journal_year 1960
_journal_page_first 399
_journal_page_last 410
_publ_section_title
;
 The crystal structure of barytocalcite BaCa(CO3)2
;
_database_code_amcsd 0012045
_chemical_formula_sum 'Ba Ca C2 O6'
_cell_length_a 8.15
_cell_length_b 5.22
_cell_length_c 6.58
_cell_angle_alpha 90
_cell_angle_beta 106.13
_cell_angle_gamma 90
_cell_volume 268.913
_exptl_crystal_density_diffrn      3.673
_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
Ba   0.14200   0.25000   0.28300
Ca   0.38300   0.73400   0.80000
C1   0.08300   0.20500   0.77000
C2   0.35800   0.74000   0.29900
O1   0.01200   0.15000   0.89300
O2   0.10500   0.44400   0.69700
O3   0.13300   0.02000   0.63900
O4   0.28700   0.68000   0.42200
O5   0.37900   0.97400   0.22600
O6   0.40700   0.55000   0.16800