data_global
_chemical_name_mineral 'Bandylite'
loop_
_publ_author_name
'Collin R L'
_journal_name_full 'Acta Crystallographica'
_journal_volume 4 
_journal_year 1951
_journal_page_first 204
_journal_page_last 209
_publ_section_title
;
 The crystal structure of bandylite, CuCl2*CuB2O4*(H2O)4
;
_database_code_amcsd 0009143
_chemical_formula_sum 'Cu B (O4 Cl) H4'
_cell_length_a 6.19
_cell_length_b 6.19
_cell_length_c 5.61
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 214.953
_exptl_crystal_density_diffrn      2.748
_symmetry_space_group_name_H-M 'P 4/n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '-y,x,-z'
  '1/2+y,1/2-x,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   0.50000   0.63900   0.00386
B   0.00000   0.00000   0.50000   0.00386
O-H   0.31600   0.55400   0.63900   0.00386
Cl   0.00000   0.50000   0.13900   0.00386