data_global
_chemical_name_mineral 'Debattistiite'
loop_
_publ_author_name
'Guastoni A'
'Bindi L'
'Nestola F'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 76 
_journal_year 2012
_journal_page_first 743
_journal_page_last 750
_publ_section_title
;
 Debattistiite, Ag9Hg0.5As6S12Te2, a new Te-bearing sulfosalt from Lengenbach
 quarry, Binn valley, Switzerland: description and crystal structure
;
_database_code_amcsd 0018994
_chemical_compound_source 'Lengenbach quarry, Binn valley, Switzerland'
_chemical_formula_sum 'Ag9 Hg.5 As6 S12.14 Te1.86'
_cell_length_a 7.832
_cell_length_b 8.606
_cell_length_c 10.755
_cell_angle_alpha 95.563
_cell_angle_beta 95.880
_cell_angle_gamma 116.79
_cell_volume 635.282
_exptl_crystal_density_diffrn      5.613
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-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
Ag1  -0.03720   0.50570   0.36950   1.00000   0.04530
Ag2   0.57610   0.95620   0.34420   1.00000   0.06000
Ag3   0.21100   0.62900   0.15740   1.00000   0.06700
Ag4   0.58140   0.56880   0.62410   0.50000   0.01900
Hg4   0.50000   0.50000   0.50000   0.50000   0.02400
Ag5   0.52480   0.22380   0.19720   1.00000   0.07900
As1   0.14030   0.97400   0.37030   1.00000   0.02050
As2  -0.26940   0.67680   0.13020   1.00000   0.02370
As3  -0.03830   0.14210   0.12330   1.00000   0.01900
S1  -0.16500   0.74230   0.34690   1.00000   0.02800
S2   0.05200   0.19460   0.34120   1.00000   0.03200
S3  -0.14060   0.35130   0.12740   1.00000   0.01600
S4  -0.34400   0.90800   0.11330   1.00000   0.03000
S5  -0.57000   0.47650   0.14870   1.00000   0.02800
S6   0.21900   0.92900   0.17800   1.00000   0.02400
Te1   0.35210   0.71570   0.49930   0.93000   0.02580
STe   0.35210   0.71570   0.49930   0.07000   0.02580