data_global
_chemical_name_mineral 'Xanthoconite'
loop_
_publ_author_name
'Engel P'
'Nowacki W'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 24 
_journal_year 1968
_journal_page_first 77
_journal_page_last 81
_publ_section_title
;
 Die kristallstruktur von Ag3AsS3
;
_database_code_amcsd 0009336
_chemical_formula_sum 'Ag3 As S3'
_cell_length_a 12.00
_cell_length_b 6.26
_cell_length_c 17.08
_cell_angle_alpha 90
_cell_angle_beta 110.00
_cell_angle_gamma 90
_cell_volume 1205.672
_exptl_crystal_density_diffrn      5.451
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ag1   0.14140   0.03470   0.21600
Ag2   0.06320   0.94020   0.43860
Ag3   0.36090   0.04570   0.13700
As   0.35730   0.05530   0.42920
S1   0.15420   0.19430   0.08420
S2   0.42400   0.14270   0.32720
S3   0.16550   0.14480   0.35880
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
Ag1 0.06184 0.06333 0.03654 -0.00447 0.01421 -0.00509
Ag2 0.05282 0.06134 0.04568 -0.01019 0.01329 0.01120
Ag3 0.03994 0.04129 0.08744 0.00089 0.01238 -0.00025
As 0.02834 0.02442 0.02610 -0.00161 0.00413 -0.00102
S1 0.02383 0.02541 0.02480 -0.00536 0.00367 -0.00025
S2 0.02963 0.03037 0.02610 0.00143 0.00734 0.00534
S3 0.01804 0.02561 0.02349 -0.00054 0.00413 0.00153