data_global
_chemical_name_mineral 'Dolomite'
loop_
_publ_author_name
'Reeder R J'
'Dollase W A'
_journal_name_full 'American Mineralogist'
_journal_volume 74 
_journal_year 1989
_journal_page_first 1159
_journal_page_last 1167
_publ_section_title
;
 Structural variation in the dolomite-ankerite solid-solution series: An X-ray,
 Mossbauer, and TEM study
 sample BM 1931-294
;
_database_code_amcsd 0001272
_chemical_formula_sum 'Ca.997 Fe.234 Mg.769 C2 O6'
_cell_length_a 4.8116
_cell_length_b 4.8116
_cell_length_c 16.0421
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 321.641
_exptl_crystal_density_diffrn      2.970
_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
CaA   0.00000   0.00000   0.00000   0.94400
FeA   0.00000   0.00000   0.00000   0.05600
MgB   0.00000   0.00000   0.50000   0.76900
FeB   0.00000   0.00000   0.50000   0.17800
CaB   0.00000   0.00000   0.50000   0.05300
C   0.00000   0.00000   0.24300   1.00000
O   0.24850  -0.03360   0.24426   1.00000
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
CaA 0.00871 0.00871 0.00887 0.00435 0.00000 0.00000
FeA 0.00871 0.00871 0.00887 0.00435 0.00000 0.00000
MgB 0.00677 0.00677 0.00887 0.00339 0.00000 0.00000
FeB 0.00677 0.00677 0.00887 0.00339 0.00000 0.00000
CaB 0.00677 0.00677 0.00887 0.00339 0.00000 0.00000
C 0.00704 0.00704 0.00900 0.00352 0.00000 0.00000
O 0.00880 0.01240 0.01486 0.00704 -0.00220 -0.00335