data_global
_chemical_name_mineral 'Calaverite'
loop_
_publ_author_name
'Schutte W J'
'de Boer J L'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 44 
_journal_year 1988
_journal_page_first 486
_journal_page_last 494
_publ_section_title
;
 Valence fluctuations in the incommensurately modulated structure of calaverite AuTe2
 Sample: T = 298 K
;
_database_code_amcsd 0009826
_chemical_compound_source 'Cripple Creek, Colorado'
_chemical_formula_sum '(Au.9 Ag.1) Te2'
_cell_length_a 7.1947
_cell_length_b 4.4146
_cell_length_c 5.0703
_cell_angle_alpha 90
_cell_angle_beta 90.038
_cell_angle_gamma 90
_cell_volume 161.041
_exptl_crystal_density_diffrn      9.141
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
_atom_site_occupancy
Au   0.00000   0.00000   0.00000   0.90000
Ag   0.00000   0.00000   0.00000   0.10000
Te   0.68940   0.00000   0.28880   1.00000
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
Au 0.01023 0.01550 0.01263 0.00000 0.00222 0.00000
Ag 0.01023 0.01550 0.01263 0.00000 0.00222 0.00000
Te 0.01154 0.11255 0.01211 0.00000 0.00203 0.00000