data_global
_chemical_name_mineral 'Spangolite'
loop_
_publ_author_name
'Hawthorne F C'
'Kimata M'
'Eby R K'
_journal_name_full 'American Mineralogist'
_journal_volume 78 
_journal_year 1993
_journal_page_first 649
_journal_page_last 652
_publ_section_title
;
 The crystal structure of spangolite, a complex copper sulfate sheet mineral
;
_database_code_amcsd 0001585
_chemical_formula_sum 'Cu6 S Cl Al O19 H15'
_cell_length_a 8.254
_cell_length_b 8.254
_cell_length_c 14.354
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 846.901
_exptl_crystal_density_diffrn      3.117
_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
Cu1   0.09150   0.46490   0.00000   1.00000   0.01470
Cu2   0.79790   0.04050  -0.01320   1.00000   0.01370
S   0.00000   0.00000  -0.22460   1.00000   0.02830
Cl   0.33333   0.66667   0.14950   1.00000   0.03460
Al   0.66667   0.33333  -0.01430   1.00000   0.01220
O1   0.18350   0.03460  -0.25930   1.00000   0.05700
O2   0.00000   0.00000  -0.12170   1.00000   0.02120
O-h3   0.80860   0.24920  -0.08300   1.00000   0.01500
O-h4   0.52830   0.41210   0.05840   1.00000   0.01430
O-h5   0.29620   0.45170  -0.06180   1.00000   0.01580
O-h6   0.03640   0.21760   0.04840   1.00000   0.01400
O-H7A   0.55200   0.00710   0.25500   0.50000   0.04710
O-H7B   0.64400   0.09700   0.25000   0.50000   0.04710
H3   0.81000   0.25000   0.85000   1.00000   0.01200
H4   0.53000   0.41000   0.13000   1.00000   0.01200
H5   0.30000   0.45000   0.87000   1.00000   0.01200
H6   0.04000   0.22000   0.12000   1.00000   0.01200