data_global
_chemical_name_mineral 'Cualstibite'
loop_
_publ_author_name
'Bonaccorsi E'
'Merlino S'
'Orlandi P'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 198
_journal_page_last 203
_publ_section_title
;
 Zincalstibite, a new mineral, and cualstibite: Crystal chemical and structural
 relationships
;
_database_code_amcsd 0004272
_chemical_compound_source 'Apuan Alps, Tuscany, Italy'
_chemical_formula_sum 'Cu2 Al Sb O12 H12'
_cell_length_a 9.150
_cell_length_b 9.150
_cell_length_c 9.745
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 706.569
_exptl_crystal_density_diffrn      3.384
_symmetry_space_group_name_H-M 'P -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x+y,-z'
  '-x+y,-x,z'
  '-x,-y,-z'
  '-y,x-y,z'
  'x-y,x,-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
Cu   0.67170   0.00950   0.50050   1.00000   0.02410
Al1   0.00000   0.00000   0.50000   1.00000   0.01040
Al2   0.33333   0.66667   0.50450   1.00000   0.01210
Sb1   0.00000   0.00000   0.00000   1.00000   0.02170
Sb2   0.33333   0.66667   0.00340   1.00000   0.02290
O1   0.51900   0.82860   0.12480   0.88000   0.03000
O2   0.11720   0.20440   0.60200   1.00000   0.03500
O3   0.50350   0.65750  -0.11100   0.88000   0.02800
O4   0.01550  -0.16690  -0.11800   0.88000   0.03400
O5   0.54150   0.78760   0.40370   1.00000   0.02500
O6   0.12610   0.54310   0.60490   1.00000   0.02500
O1A   0.82900   0.51800   0.87400   0.12000   0.04000
O3A   0.65800   0.50300   0.11100   0.12000   0.04000
O4A   0.83300   0.01500   0.11800   0.12000   0.04000
H1   0.47100   0.90100   0.10800   1.00000   0.04000
H2   0.20400   0.08700   0.29400   1.00000   0.04000
H3   0.57900   0.77900  -0.08500   1.00000   0.04000
H4   0.74100   0.84300   0.09700   1.00000   0.04000
H5   0.54200   0.78900   0.30000   1.00000   0.04000
H6   0.54200   0.41600   0.29200   1.00000   0.04000