data_global
_chemical_name_mineral 'Angelaite'
loop_
_publ_author_name
'Topa D'
'Makovicky E'
'Putz H'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 48 
_journal_year 2010
_journal_page_first 145
_journal_page_last 153
_publ_section_title
;
 The crystal structure of angelaite, Cu2AgPbBiS4
;
_database_code_amcsd 0006325
_chemical_compound_source 'Angela mine, Los Manantiales district, Chubut province, Argentina'
_chemical_formula_sum 'Cu1.98 Ag Pb Bi S4'
_cell_length_a 12.734
_cell_length_b 4.032
_cell_length_c 14.633
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 751.309
_exptl_crystal_density_diffrn      6.879
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+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
Cu1   0.45100   0.25000   0.33820   1.00000   0.05400
Cu2a  -0.02740   0.25000  -0.02090   0.67000   0.07400
Cu2b  -0.06200   0.25000  -0.13000   0.31000   0.04200
Ag   0.18320   0.25000  -0.07510   1.00000   0.03880
Pb   0.21930   0.25000   0.66660   1.00000   0.02940
Bi   0.06739   0.25000   0.39411   1.00000   0.01700
S1   0.37180   0.25000   0.03170   1.00000   0.01800
S2   0.27980   0.25000   0.31280   1.00000   0.01700
S3   0.10410   0.25000   0.08510   1.00000   0.02000
S4  -0.00480   0.25000   0.71980   1.00000   0.02000
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
Cu1 0.02100 0.10400 0.03700 0.00000 -0.01000 0.00000
Cu2a 0.04200 0.14000 0.04000 0.00000 0.00800 0.00000
Cu2b 0.03000 0.02400 0.07000 0.00000 -0.00700 0.00000
Ag 0.05000 0.03900 0.02800 0.00000 0.01300 0.00000
Pb 0.04600 0.01640 0.02590 0.00000 0.00400 0.00000
Bi 0.02050 0.01100 0.01940 0.00000 0.00070 0.00000
S1 0.02000 0.00400 0.03100 0.00000 -0.00300 0.00000
S2 0.01700 0.01200 0.02400 0.00000 -0.00200 0.00000
S3 0.01600 0.01900 0.02800 0.00000 0.00200 0.00000
S4 0.03300 0.01000 0.01800 0.00000 -0.00200 0.00000