data_global
_chemical_name_mineral 'Atacamite'
loop_
_publ_author_name
'Wells A F'
_journal_name_full 'Acta Crystallographica'
_journal_volume 2 
_journal_year 1949
_journal_page_first 175
_journal_page_last 180
_publ_section_title
;
 The crystal structure of atacamite and the crystal chemistry of
 cupric compounds
;
_chemical_formula_sum 'Cu2 Cl (O3 H3)'
_cell_length_a 6.01
_cell_length_b 9.13
_cell_length_c 6.84
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 375.320
_exptl_crystal_density_diffrn      3.780
_symmetry_space_group_name_H-M 'P n a m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.00000   0.00000   0.00000
Cu2   0.19200   0.25800   0.25000
Cl   0.35000   0.05800   0.75000
O-H1   0.18500   0.00000   0.25000
O-H2   0.43000   0.29200   0.06500

