data_global
_chemical_name_mineral 'Erniggliite'
loop_
_publ_author_name
'Graeser S'
'Schwander H'
'Wulf R'
'Edenharter A'
_journal_name_full 'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_volume 72 
_journal_year 1992
_journal_page_first 293
_journal_page_last 305
_publ_section_title
;
 Erniggliite (Tl2SnAs2S6), a new mineral from Lengenbach, Binntal (Switzerland):
 description and crystal structure determination based on data from synchrotron radiation
;
_database_code_amcsd 0015406
_chemical_compound_source 'Lengenbach, Binntal, Switzerland'
_chemical_formula_sum 'Sn Tl2 As2 S6'
_cell_length_a 6.680
_cell_length_b 6.680
_cell_length_c 7.164
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 276.847
_exptl_crystal_density_diffrn      5.217
_symmetry_space_group_name_H-M 'P -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x+y,-z'
  '-x+y,-x,z'
  '-x,-y,-z'
  '-y,x-y,z'
  'x-y,x,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn   0.00000   0.00000   0.00000   0.01030
Tl   0.33333   0.66667   0.38230   0.03770
As   0.33333   0.66667   0.92660   0.01610
S   0.20510   0.33460   0.76840   0.01960
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
Sn 0.00770 0.00770 0.01560 0.00390 0.00000 0.00000
Tl 0.04610 0.04610 0.02080 0.02310 0.00000 0.00000
As 0.01630 0.01630 0.01570 0.00810 0.00000 0.00000
S 0.02690 0.01020 0.01800 0.00650 0.00560 0.00150