data_global
_chemical_name_mineral 'Dugganite'
loop_
_publ_author_name
'Lam A E'
'Groat L A'
'Ercit T S'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 36 
_journal_year 1998
_journal_page_first 823
_journal_page_last 830
_publ_section_title
;
 The crystal structure of dugganite, Pb3Zn3TeAs2O14
;
_database_code_amcsd 0005548
_chemical_compound_source 'Empire mine, Tombstone, Arizona, USA'
_chemical_formula_sum 'Te As2 Pb3 Zn3 O14'
_cell_length_a 8.460
_cell_length_b 8.460
_cell_length_c 5.206
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 322.683
_exptl_crystal_density_diffrn      6.789
_symmetry_space_group_name_H-M 'P 3 2 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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Te   0.00000   0.00000   0.00000
As   0.33333   0.66667   0.52940
Pb   0.59472   0.00000   0.00000
Zn   0.24660   0.00000   0.50000
O1   0.12200   0.21200   0.21700
O2   0.46700   0.20000   0.33900
O3   0.33333   0.66667   0.23900
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
Te 0.03050 0.03050 0.01580 0.01530 0.00000 0.00000
As 0.02370 0.02370 0.03690 0.01190 0.00000 0.00000
Pb 0.03590 0.03800 0.03030 0.01900 0.00100 0.00200
Zn 0.03430 0.02860 0.02480 0.01430 -0.00070 -0.00140
O1 0.03250 0.03630 0.02470 0.01090 0.00430 -0.00500
O2 0.05020 0.06710 0.03980 0.00480 0.01780 -0.00770
O3 0.04070 0.04070 0.06680 0.02030 0.00000 0.00000