data_global
_chemical_name_mineral 'Holdenite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 513
_journal_page_last 521
_publ_section_title
;
 Holdenite, a novel cubic close-packed structure
 Note: sample is from the zinc mines at Franklin, Sussex County, New Jersey, USA
;
_database_code_amcsd 0000581
_chemical_formula_sum 'Mn5.45 Mg.55 Si As2 Zn3 O20 H8'
_cell_length_a 11.99
_cell_length_b 31.46
_cell_length_c 8.697
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3280.555
_exptl_crystal_density_diffrn      4.110
_symmetry_space_group_name_H-M 'A b m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,+z'
  'x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-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
Mn1   0.00000   0.10108   0.00000   0.53000   0.01153
Mg1   0.00000   0.10108   0.00000   0.47000   0.01153
Mn2   0.00000   0.20493   0.00000   0.92000   0.01001
Mg2   0.00000   0.20493   0.00000   0.08000   0.01001
Mn3   0.37353   0.05137   0.21843   1.00000   0.01267
Mn4   0.36297   0.15428   0.22701   1.00000   0.01064
Si   0.25000   0.25000   0.11500   1.00000   0.00747
As   0.12961   0.10069   0.36268   1.00000   0.00811
Zn1   0.11099   0.00000   0.10650   1.00000   0.01089
Zn2   0.13073   0.20123   0.36797   1.00000   0.01001
O1   0.13470   0.25220   0.01420   1.00000   0.01013
O2   0.24730   0.20630   0.21580   1.00000   0.01127
O3   0.13460   0.14530   0.47420   1.00000   0.01127
O4   0.13820   0.05780   0.47610   1.00000   0.01317
O5   0.00890   0.10100   0.25970   1.00000   0.01254
O6   0.23960   0.10200   0.24050   1.00000   0.01203
O-H1   0.25170   0.00000   0.22760   1.00000   0.01127
O-H2  -0.00340   0.00000   0.27000   1.00000   0.01203
O-H3   0.11730   0.05110  -0.02470   1.00000   0.01165
O-H4   0.11130   0.15020  -0.03080   1.00000   0.01153
O-H5  -0.00920   0.20220   0.25520   1.00000   0.01127