data_global
_chemical_name_mineral 'Dolomite'
loop_
_publ_author_name
'Drits V A'
'McCarty D K'
'Sakharov B'
'Milliken K L'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 43 
_journal_year 2005
_journal_page_first 1255
_journal_page_last 1290
_publ_section_title
;
 New insight into structural and compositional
 variability in some ancient excess-Ca dolomite
 Sample: M236-116, Phase II
;
_database_code_amcsd 0006027
_chemical_compound_source 'Lea County, New Mexico, USA'
_chemical_formula_sum 'Ca1.17 Mg.83 C2 O6'
_cell_length_a 4.8274
_cell_length_b 4.8274
_cell_length_c 16.1374
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 325.680
_exptl_crystal_density_diffrn      2.862
_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
CaA   0.00000   0.00000   0.00000   1.00000   0.01127
MgB   0.00000   0.00000   0.50000   0.83000   0.01241
CaB   0.00000   0.00000   0.50000   0.17000   0.01241
C   0.00000   0.00000   0.24380   1.00000 ?
O   0.25050  -0.03380   0.24510   1.00000   0.01267