data_global
_chemical_name_mineral 'Eriochalcite'
loop_
_publ_author_name
'Peterson S'
'Levy H'
_journal_name_full 'Journal of Chemical Physics'
_journal_volume 26 
_journal_year 1957
_journal_page_first 220
_journal_page_last 221
_publ_section_title
;
 Proton positions in Cu Cl2 (H2 O)2 by neutron diffraction
 _cod_database_code 1008760
;
_database_code_amcsd 0016637
_chemical_formula_sum 'Cu O2 Cl2 H4'
_cell_length_a 7.395
_cell_length_b 8.056
_cell_length_c 3.728
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 222.092
_exptl_crystal_density_diffrn      2.549
_symmetry_space_group_name_H-M 'P b m n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'x,-y,z'
  '-x,y,-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
O1   0.00000   0.23900   0.00000
Cl1   0.24020   0.00000   0.38040
H1   0.08220   0.30650   0.12950