data_global
_chemical_name_mineral 'Wickenburgite'
loop_
_publ_author_name
'Lam A E'
'Groat L A'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 32 
_journal_year 1994
_journal_page_first 525
_journal_page_last 532
_publ_section_title
;
 The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet
 structure
 Sample: UMAN refinement
;
_database_code_amcsd 0005382
_chemical_formula_sum 'Pb3 Ca Al1.81 Fe.19 Si10 O30 H6'
_cell_length_a 8.546
_cell_length_b 8.546
_cell_length_c 20.168
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1275.614
_exptl_crystal_density_diffrn      3.874
_symmetry_space_group_name_H-M 'P 3 1 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,-y,1/2+z'
  '-y,x-y,z'
  'y,x,1/2+z'
  '-x+y,-x,z'
  '-x,-x+y,1/2+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
Pb   0.29200   0.25860   0.00000   1.00000   0.01100
Ca   0.00000   0.00000   0.14620   1.00000   0.01300
Al1   0.66667   0.33333   0.48540   0.81000   0.01200
Fe1   0.66667   0.33333   0.48540   0.19000   0.01200
Al2   0.33333   0.66667   0.36330   1.00000   0.00600
Si1   0.66667   0.33333   0.13060   1.00000   0.00700
Si2   0.00000   0.00000   0.37490   1.00000   0.01000
Si3   0.66667   0.33333   0.28750   1.00000   0.00900
Si4   0.33333   0.66667   0.19830   1.00000   0.01000
Si5   0.38330   0.05990   0.37600   1.00000   0.00900
Si6   0.05960   0.41390   0.09650   1.00000   0.00800
O1   0.33333   0.66667   0.27800   1.00000   0.01300
O2   0.66667   0.33333   0.20900   1.00000   0.02100
O3   0.00000   0.00000   0.45500   1.00000   0.00800
O4   0.15000   0.49300   0.16900   1.00000   0.02000
O5   0.48700   0.15900   0.10500   1.00000   0.01500
O6   0.51900   0.13500   0.31400   1.00000   0.01200
O7   0.12600   0.56900   0.04100   1.00000   0.01000
O8   0.19100   0.03100   0.34700   1.00000   0.01800
O9   0.08300   0.24300   0.07500   1.00000   0.00700
Wat10   0.22900   0.19700   0.21800   1.00000   0.02700
O11   0.44700   0.21100   0.43600   1.00000   0.01200
O12   0.50900   0.63900   0.39700   1.00000   0.01600