data_global
_chemical_name_mineral 'Stalderite'
loop_
_publ_author_name
'Graeser S'
'Schwander H'
'Wulf R'
'Edenharter A'
_journal_name_full 'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_volume 75 
_journal_year 1995
_journal_page_first 337
_journal_page_last 345
_publ_section_title
;
 Stalderite TlCu(Zn,Fe,Hg)2As2S6 - a new mineral related to routhierite:
 description and crystal structure determination
;
_database_code_amcsd 0015409
_chemical_compound_source 'Lengenbach, Binntal, Ct. Valais, Switzerland'
_chemical_formula_sum 'Tl Cu (Zn1.16 Fe.46 Hg.38) As2 S6'
_cell_length_a 9.865
_cell_length_b 9.865
_cell_length_c 10.938
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1064.467
_exptl_crystal_density_diffrn      4.917
_symmetry_space_group_name_H-M 'I -4 2 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'x,-y,-z'
  '1/2+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
Tl   0.00000   0.00000   0.35010   1.00000   0.04530
Cu   0.00000   0.50000   0.25000   1.00000   0.00960
Zn   0.22530   0.50000   0.50000   0.58000   0.01830
Fe   0.22530   0.50000   0.50000   0.23000   0.01830
Hg   0.22530   0.50000   0.50000   0.19000   0.01830
As   0.26280   0.26280   0.24950   1.00000   0.01770
S1   0.10100   0.33850   0.38010   1.00000   0.01480
S2   0.12650   0.12650   0.13300   1.00000   0.01430