data_global
_chemical_name_mineral 'Pinalite'
loop_
_publ_author_name
'Grice J D'
'Dunn P J'
_journal_name_full 'American Mineralogist'
_journal_volume 85 
_journal_year 2000
_journal_page_first 806
_journal_page_last 809
_publ_section_title
;
 Crystal-structure determination of pinalite
;
_database_code_amcsd 0002460
_chemical_formula_sum 'Pb3 W O5 Cl2'
_cell_length_a 11.073
_cell_length_b 13.067
_cell_length_c 5.617
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 812.729
_exptl_crystal_density_diffrn      7.816
_symmetry_space_group_name_H-M 'A m a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  'x,1/2+y,1/2-z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb1   0.46780   0.34890   0.00000
Pb2   0.75000   0.40020  -0.50000
W   0.75000   0.23500   0.00000
O1   0.63200   0.27000   0.23200
O2   0.75000   0.10500   0.00000
Cl1   0.50000   0.50000  -0.50000
Cl2   0.75000   0.47500   0.00000
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
Pb1 0.11616 0.17473 0.02094 0.01173 0.00000 0.00000
Pb2 0.13293 0.18684 0.01135 0.00000 0.00000 0.00000
W 0.10187 0.16435 0.01087 0.00000 0.00000 0.00000
O1 0.11491 0.20328 0.01598 -0.03225 -0.00473 0.00818
O2 0.20125 0.34341 0.05914 0.00000 0.00000 0.00000
Cl1 0.08758 0.41002 0.06841 0.04471 0.00000 0.00000
Cl2 0.15591 0.32784 0.02477 0.00000 0.00000 0.00000