data_global
_chemical_name_mineral 'Johillerite'
loop_
_publ_author_name
'Keller P'
'Hess H'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1988 
_journal_year 1988
_journal_page_first 395
_journal_page_last 404
_publ_section_title
;
 Die kristallstrukturen von o'danielit, Na(Zn,Mg)3H2(AsO4)3,
 und johillerit, Na(Mg,Zn)3Cu(AsO4)3
;
_database_code_amcsd 0014830
_chemical_compound_source 'Tsumeb, Namibia'
_chemical_formula_sum 'Na (Mg2.649 Zn.351) Cu As3 O12'
_cell_length_a 11.870
_cell_length_b 12.755
_cell_length_c 6.770
_cell_angle_alpha 90
_cell_angle_beta 113.42
_cell_angle_gamma 90
_cell_volume 940.548
_exptl_crystal_density_diffrn      4.171
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-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
Na   0.00000   0.00840   0.25000   1.00000   0.02394
Mg1   0.50000   0.23840   0.25000   0.88300   0.00785
Zn1   0.50000   0.23840   0.25000   0.11700   0.00785
Mg2   0.28590   0.34370   0.37390   0.88300   0.00735
Zn2   0.28590   0.34370   0.37390   0.11700   0.00735
Cu   0.00000   0.49730   0.25000   1.00000   0.01608
As1   0.00000   0.28750   0.25000   1.00000   0.01140
As2   0.22880   0.11440   0.12350   1.00000   0.00937
O1   0.33770   0.49880   0.39040   1.00000   0.02090
O2   0.37990   0.10670   0.18320   1.00000   0.01381
O3   0.10650   0.37920   0.26390   1.00000   0.01621
O4   0.34440   0.32890   0.11960   1.00000   0.01254
O5   0.21430   0.18990   0.31900   1.00000   0.01583
O6   0.03640   0.21410   0.47260   1.00000   0.01343