data_global
_chemical_name_mineral 'Liroconite'
loop_
_publ_author_name
'Burns P C'
'Eby R K'
'Hawthorne F C'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 47 
_journal_year 1991
_journal_page_first 916
_journal_page_last 919
_publ_section_title
;
 Refinement of the structure of liroconite,
 a heteropolyhedral framework oxysalt mineral
;
_database_code_amcsd 0010249
_chemical_compound_source 'Roughton Gill, England'
_chemical_formula_sum 'Cu2 Al As O12 H12'
_cell_length_a 12.664
_cell_length_b 7.563
_cell_length_c 9.914
_cell_angle_alpha 90
_cell_angle_beta 91.32
_cell_angle_gamma 90
_cell_volume 949.289
_exptl_crystal_density_diffrn      3.030
_symmetry_space_group_name_H-M 'I 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Cu   0.13090   0.22187   0.27026   0.01370
Al   0.00000   0.00000   0.00000   0.01110
As   0.25000   0.04570   0.00000   0.00950
O1   0.85580   0.08010   0.00630   0.01970
O2   0.24570   0.17340   0.13800   0.01970
O-H1   0.02440   0.09590   0.17360   0.02270
O-H2   0.04100   0.22380   0.92290   0.01900
Wat1   0.68430   0.11950   0.34050   0.04730
Wat2   0.11040   0.49220   0.12060   0.03340