data_global
_chemical_name_mineral 'Wroewolfeite'
loop_
_publ_author_name
'Hawthorne F C'
'Groat L A'
_journal_name_full 'American Mineralogist'
_journal_volume 70 
_journal_year 1985
_journal_page_first 1050
_journal_page_last 1055
_publ_section_title
;
 The crystal structure of wroewolfeite, a mineral with
 [Cu4(OH)6(SO4)(H2O)] sheets
;
_database_code_amcsd 0001001
_chemical_formula_sum 'Cu4 S O12 H10'
_cell_length_a 6.045
_cell_length_b 5.646
_cell_length_c 14.337
_cell_angle_alpha 90
_cell_angle_beta 93.39
_cell_angle_gamma 90
_cell_volume 488.467
_exptl_crystal_density_diffrn      3.320
_symmetry_space_group_name_H-M 'P 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1   0.00000   0.33110   0.25000   0.00910
Cu2   0.50200   0.32120   0.25010   0.01010
Cu3  -0.24760  -0.16820   0.24280   0.01020
Cu4   0.24740   0.17340  -0.25720   0.01080
S  -0.07980   0.03580   0.03520   0.01430
O1  -0.02610   0.00980   0.13760   0.01400
O2   0.12790   0.00120  -0.01320   0.02500
O3  -0.16070   0.28110   0.01540   0.01800
O4  -0.24430  -0.13310   0.00520   0.02900
O-H5   0.25250   0.49910   0.19320   0.00800
O-H6   0.25230   0.14010   0.30520   0.00900
O-H7   0.00630  -0.28450   0.31530   0.00900
O-H8   0.74060   0.50730   0.18940   0.00600
O-H9   0.75770   0.14700   0.30760   0.01100
O-H10   0.48910  -0.05810   0.17530   0.00600
Wat11   0.51010   0.62300   0.37380   0.02100
Wat12   0.22400   0.46380  -0.49640   0.02400