data_global
_chemical_name_mineral 'Iseite'
loop_
_publ_author_name
'Nishio-Hamane D'
'Tomita N'
'Minakawa T'
'Inaba S'
_journal_name_full 'Journal of Mineralogical and Petrological Sciences'
_journal_volume 108 
_journal_year 2013
_journal_page_first 37
_journal_page_last 41
_publ_section_title
;
 Iseite, Mn2Mo3O8, a new mineral from Ise, Mie Prefecture, Japan
;
_database_code_amcsd 0020450
_chemical_compound_source 'Shobu area, Ise City, Mie Prefecture, Japan'
_chemical_formula_sum '(Mn1.8 Fe.2) Mo3 O8'
_cell_length_a 5.8052
_cell_length_b 5.8052
_cell_length_c 10.2277
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 298.499
_exptl_crystal_density_diffrn      5.851
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1   0.33333   0.66667   0.95470   0.90000
Fe2   0.33333   0.66667   0.95470   0.10000
Mn3   0.33333   0.66667   0.52030   0.90000
Fe4   0.33333   0.66667   0.52030   0.10000
Mo1   0.14630  -0.14630   0.25000   1.00000
O1   0.00000   0.00000   0.40000   1.00000
O2   0.33333   0.66667   0.14200   1.00000
O3   0.47900  -0.47900   0.37100   1.00000
O4   0.16300  -0.16300   0.64000   1.00000