data_global
_chemical_name_mineral 'Dansite'
loop_
_publ_author_name
'Burzlaff H'
'Grube H H'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 152 
_journal_year 1980
_journal_page_first 83
_journal_page_last 93
_publ_section_title
;
 Strukturverfeinerung und zwillingsgesetz am Zn-d'ansit
;
_database_code_amcsd 0010830
_chemical_formula_sum 'Na21 Zn S10 O40 Cl3'
_cell_length_a 15.9132
_cell_length_b 15.9132
_cell_length_c 15.9132
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4029.699
_exptl_crystal_density_diffrn      2.662
_symmetry_space_group_name_H-M 'I -4 3 d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-z,x,-y'
  '-z,1/2+x,1/2-y'
  '1/2-y,z,-x'
  '-y,1/2+z,1/2-x'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/4+x,3/4-z,1/4-y'
  '3/4+x,1/4-z,3/4-y'
  '1/4+z,3/4-y,1/4-x'
  '3/4+z,1/4-y,3/4-x'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4+x,1/4+z,1/4+y'
  '3/4+x,3/4+z,3/4+y'
  '1/4+z,1/4+y,1/4+x'
  '3/4+z,3/4+y,3/4+x'
  '1/4+y,1/4+x,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '-z,1/2-x,y'
  '1/2-z,-x,1/2+y'
  '-y,1/2-z,x'
  '1/2-y,-z,1/2+x'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
  '1/2+z,1/2-x,-y'
  '+z,-x,1/2-y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '1/2+x,1/2-y,-z'
  '+x,-y,1/2-z'
  '3/4-x,3/4+z,1/4-y'
  '1/4-x,1/4+z,3/4-y'
  '3/4-z,3/4+y,1/4-x'
  '1/4-z,1/4+y,3/4-x'
  '3/4-y,3/4+x,1/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-x,1/4-z,1/4+y'
  '1/4-x,3/4-z,3/4+y'
  '3/4-z,1/4-y,1/4+x'
  '1/4-z,3/4-y,3/4+x'
  '3/4-y,1/4-x,1/4+z'
  '1/4-y,3/4-x,3/4+z'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1   0.37494   0.34862   0.11774   1.00000
Na2   0.51780   0.24560   0.45680   0.50000
Zn   0.32960   0.32960   0.32960   0.25000
Na   0.32960   0.32960   0.32960   0.75000
S1   0.25000   0.26832   0.50000   1.00000
S2   0.46070   0.46070   0.46070   1.00000
O1   0.08830   0.47440   0.46370   1.00000
O2   0.23220   0.03390   0.42610   1.00000
O3   0.01770   0.32270   0.07270   1.00000
O4   0.40790   0.40790   0.40790   1.00000
Cl   0.25000   0.37500   0.00000   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
Na1 0.02604 0.02745 0.02245 0.00321 -0.00372 -0.00257
Na2 0.04875 0.03849 0.01770 -0.00641 -0.00141 0.00000
Zn 0.03618 0.03618 0.03618 0.00513 0.00513 0.00513
Na 0.03618 0.03618 0.03618 0.00513 0.00513 0.00513
S1 0.02463 0.01283 0.01475 0.00000 -0.00218 0.00000
S2 0.01629 0.01629 0.01629 0.00115 0.00115 0.00115
O1 0.07312 0.05388 0.03592 -0.02694 0.02822 -0.01155
O2 0.02861 0.02296 0.02861 -0.00013 -0.00077 0.00629
O3 0.03849 0.03977 0.03464 -0.00795 -0.00051 -0.02207
O4 0.10391 0.10391 0.10391 -0.03849 -0.03849 -0.03849
Cl 0.02053 0.01706 0.02053 0.00000 0.00000 0.00000