data_global
_chemical_name_mineral 'Manganpyrosmalite'
loop_
_publ_author_name
'Kato T'
'Takeuchi Y'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 21 
_journal_year 1983
_journal_page_first 1
_journal_page_last 6
_publ_section_title
;
 The pyrosmalite group of minerals I. Structure refinement of
 Manganpyrosmalite
 Note: sample 2
 Note: z-coordinate for AlM4 changed
;
_database_code_amcsd 0005190
_chemical_compound_source 'Kyurazawa mine, Japan'
_chemical_formula_sum 'Mn6 Fe1.6 Si6 O23.53 Cl1.47 H8.53'
_cell_length_a 13.422
_cell_length_b 13.422
_cell_length_c 7.165
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1117.844
_exptl_crystal_density_diffrn      3.044
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-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
MnM1   0.00000   0.00000   0.00000   0.75000   0.01634
FeM1   0.00000   0.00000   0.00000   0.20000   0.01634
MnM2   0.25420   0.00000   0.00000   0.75000   0.00963
FeM2   0.25420   0.00000   0.00000   0.20000   0.00963
MnM3   0.50000   0.00000   0.00000   0.75000   0.00646
FeM3   0.50000   0.00000   0.00000   0.20000   0.00646
MnM4   0.50240   0.25120   0.02280   0.75000   0.00659
FeM4   0.50240   0.25120   0.02280   0.20000   0.00659
Si   0.43690   0.10360   0.62410   1.00000   0.00659
O1   0.34050   0.00000   0.50000   1.00000   0.01786
O2   0.56440   0.12880   0.55740   1.00000   0.01520
O3   0.43020   0.21510   0.55530   1.00000   0.01330
O4   0.42000   0.08390   0.84860   1.00000   0.00608
Cl1   0.16840   0.08420   0.77330   0.49000   0.02799
O-H1   0.16840   0.08420   0.77330   0.51000   0.02799
O-H2   0.33500   0.16750   0.14070   1.00000   0.00583
O-H3   0.58150   0.16300   0.14950   1.00000   0.00507
O-H4   0.33333   0.66667   0.12330   1.00000   0.00659