data_global
_chemical_name_mineral 'Pyrophanite'
loop_
_publ_author_name
'Liferovich R P'
'Mitchell R H'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 32 
_journal_year 2005
_journal_page_first 442
_journal_page_last 449
_publ_section_title
;
 Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn:
 synthesis and crystal structures
;
_database_code_amcsd 0008977
_chemical_formula_sum 'Mn Ti O3'
_cell_length_a 5.1386
_cell_length_b 5.1386
_cell_length_c 14.2857
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 326.679
_exptl_crystal_density_diffrn      4.600
_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_U_iso_or_equiv
MnA   0.00000   0.00000   0.36020   0.00317
TiB   0.00000   0.00000   0.14780   0.00380
O1   0.32000   0.02920   0.24260   0.00203