data_global
_chemical_name_mineral 'Dolomite'
loop_
_publ_author_name
'Miser D E'
'Swinnea J S'
'Steinfink H'
_journal_name_full 'American Mineralogist'
_journal_volume 72 
_journal_year 1987
_journal_page_first 188
_journal_page_last 193
_publ_section_title
;
 TEM observations and X-ray crystal-structure refinement of a twinned dolomite
 with a modulated microstructure
;
_database_code_amcsd 0001065
_chemical_formula_sum 'Ca Mg C2 O6'
_cell_length_a 4.811
_cell_length_b 4.811
_cell_length_c 16.047
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 321.659
_exptl_crystal_density_diffrn      2.856
_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
Ca   0.00000   0.00000   0.00000
Mg   0.00000   0.00000   0.50000
C   0.00000   0.00000   0.24300
O   0.24760   0.96500   0.24410
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.01080 0.01080 0.01130 0.00540 0.00000 0.00000
Mg 0.00690 0.00690 0.00980 0.00345 0.00000 0.00000
C 0.00990 0.00990 0.00800 0.00495 0.00000 0.00000
O 0.00960 0.01400 0.01670 0.00720 -0.00230 -0.00300