data_global
_chemical_name_mineral 'Ashburtonite'
loop_
_publ_author_name
'Grice J D'
'Nickel E H'
'Gault R A'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 1701
_journal_page_last 1707
_publ_section_title
;
 Ashburtonite, a new bicarbonate-silicate mineral from Ashburton Downs, Western
 Australia: Description and structure determination
;
_chemical_formula_sum 'Si4 Cu4 Pb4 C4 O28 Cl'
_cell_length_a 14.234
_cell_length_b 14.234
_cell_length_c 6.103
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1236.509
_exptl_crystal_density_diffrn      4.638
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,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
Si   0.11670   0.10640   0.50000
Cu   0.25000   0.25000   0.25000
Pb   0.21321   0.03767   0.00000
C   0.43800   0.85900   0.00000
O1   0.16370   0.14550   0.72450
O2   0.30270   0.18050   0.00000
O3   0.00620   0.13050   0.50000
O4   0.35050   0.86410   0.00000
O5   0.48390   0.85560   0.17820
Cl   0.00000   0.00000   0.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.00860 0.00580 0.00860 -0.00080 0.00000 0.00000
Cu 0.01480 0.01040 0.01120 -0.00740 0.00220 -0.00140
Pb 0.01680 0.00800 0.01510 -0.00010 0.00000 0.00000
C 0.02100 0.06800 0.04900 -0.01000 0.00000 0.00000
O1 0.00800 0.00900 0.01600 -0.00600 -0.00400 0.00400
O2 0.00400 0.01300 0.01300 -0.00100 0.00000 0.00000
O3 0.00300 0.02900 0.02600 -0.00100 0.00000 0.00000
O4 0.06200 0.06200 0.06700 -0.01100 0.00000 0.00000
O5 0.05700 0.08100 0.10200 -0.00500 -0.01800 0.02300
Cl 0.01600 0.01600 0.02200 0.00000 0.00000 0.00000