data_global
_chemical_name_mineral 'Wurtzite-2H'
loop_
_publ_author_name
'Mloszewski M J'
'Saha A K'
'Nuffield E W'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 6 
_journal_year 1957
_journal_page_first 136
_journal_page_last 139
_publ_section_title
;
 Manganoan ferroan wurtzite from Llallagua, Bolivia (II)
;
_database_code_amcsd 0005075
_chemical_compound_source 'Llallagua, Bolivia'
_chemical_formula_sum '(Zn.43 Mn.31 Fe.26) S'
_cell_length_a 3.8754
_cell_length_b 3.8754
_cell_length_c 6.3276
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 82.301
_exptl_crystal_density_diffrn      3.702
_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
Zn   0.33333   0.66667   0.00000   0.43000
Mn   0.33333   0.66667   0.00000   0.31000
Fe   0.33333   0.66667   0.00000   0.26000
S   0.33333   0.66667   0.37500   1.00000