data_global
_chemical_name_mineral 'Tolbachite'
loop_
_publ_author_name
'Burns P C'
'Hawthorne F C'
_journal_name_full 'American Mineralogist'
_journal_volume 78 
_journal_year 1993
_journal_page_first 187
_journal_page_last 189
_publ_section_title
;
 Tolbachite, CuCl2, the first example of Cu2+ octahedrally coordinated by Cl
;
_database_code_amcsd 0001544
_chemical_formula_sum 'Cu Cl2'
_cell_length_a 6.9038
_cell_length_b 3.2995
_cell_length_c 6.824
_cell_angle_alpha 90
_cell_angle_beta 122.197
_cell_angle_gamma 90
_cell_volume 131.540
_exptl_crystal_density_diffrn      3.395
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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_U_iso_or_equiv
Cu   0.00000   0.00000   0.00000   0.00633
Cl   0.50480   0.00000   0.22940   0.01267