data_global
_chemical_name_mineral 'Calaverite'
loop_
_publ_author_name
'Reithmayer K'
'Steurer W'
'Schulz H'
'de Boer J L'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 49 
_journal_year 1993
_journal_page_first 6
_journal_page_last 11
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Sample: P = 3.72 GPa
;
_database_code_amcsd 0009868
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Au Te2'
_cell_length_a 4.100
_cell_length_b 4.100
_cell_length_c 5.021
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 73.095
_exptl_crystal_density_diffrn     10.272
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Au   0.00000   0.00000   0.00000
Te   0.66667   0.33333   0.29190
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 0.01290 0.01290 0.01250 0.00640 0.00000 0.00000
Te 0.01440 0.01440 0.01280 0.00720 0.00000 0.00000