data_global
_chemical_name_mineral 'Nealite'
loop_
_publ_author_name
'Giuseppetti G'
'Mazzi F'
'Tadini C'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1993 
_journal_year 1993
_journal_page_first 278
_journal_page_last 288
_publ_section_title
;
 The crystal structure of nealite: Pb4Fe(AsO3)2Cl4*2H2O
;
_database_code_amcsd 0014867
_chemical_compound_source 'Laurion, Greece'
_chemical_formula_sum 'Pb4 Fe As2 O8 Cl4 H4'
_cell_length_a 6.53
_cell_length_b 10.23
_cell_length_c 5.588
_cell_angle_alpha 96.4
_cell_angle_beta 89.5
_cell_angle_gamma 97.8
_cell_volume 367.523
_exptl_crystal_density_diffrn      5.911
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,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
Pb1   0.70140   0.45220   0.24620   1.00000   0.01950
Pb2A   0.57860   0.81770   0.32710   0.51400   0.02090
Pb2B   0.55700   0.82370   0.23130   0.48600   0.02440
Fe   0.00000   0.00000   0.00000   1.00000   0.01990
As   0.19400   0.31420   0.21140   1.00000   0.01930
O1   0.36800   0.36000   0.45700   1.00000   0.02600
O2   0.37600   0.36500  -0.01500   1.00000   0.02400
O3   0.22500   0.14300   0.16100   1.00000   0.04300
Cl1   0.14640   0.63130   0.27530   1.00000   0.02600
Cl2   0.70530   0.12670   0.16740   1.00000   0.02800
Wat   0.95500   0.90900   0.31300   1.00000   0.05400