data_global
_chemical_name_mineral 'Otavite'
loop_
_publ_author_name
'Bromiley F A'
'Boffa Ballaran T'
'Langenhorst F'
'Seifert F'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 829
_journal_page_last 836
_publ_section_title
;
 Order and miscibility in the otavite - magnesite solid solution
 Sample: X_Mg = .4, synthesized at 600 C, 1 GPa, 3 h
;
_database_code_amcsd 0004328
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Cd.6 Mg.4) C O3'
_cell_length_a 4.8113
_cell_length_b 4.8113
_cell_length_c 15.8356
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 317.461
_exptl_crystal_density_diffrn      4.305
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
CdA   0.00000   0.00000   0.00000   0.71800   0.01900
MgA   0.00000   0.00000   0.00000   0.28200   0.01900
MgB   0.00000   0.00000   0.50000   0.51800   0.01900
CdB   0.00000   0.00000   0.50000   0.48200   0.01900
C   0.00000   0.00000   0.24600   1.00000   0.02400
O   0.25100  -0.02400   0.25600   1.00000   0.02100