data_global
_amcsd_formula_title 'Cu(HPO3H)2'
loop_
_publ_author_name
'Sghyar P M'
'Durand J'
'Cot L'
'Rafiq M'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 1378
_journal_page_last 1381
_publ_section_title
;
 Structure de Cu(HPO3H)2
;
_database_code_amcsd 0010167
_chemical_formula_sum 'Cu P2 O6 H4'
_cell_length_a 7.4748
_cell_length_b 9.9406
_cell_length_c 7.5175
_cell_angle_alpha 90
_cell_angle_beta 99.722
_cell_angle_gamma 90
_cell_volume 550.558
_exptl_crystal_density_diffrn      2.721
_symmetry_space_group_name_H-M 'P 1 21/a 1'
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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu   0.57110   0.41837   0.69293   0.12200
P1   0.22660   0.29950   0.46310   0.13900
P2   0.26930   0.43330   0.95050   0.16400
O11   0.39490   0.38690   0.47370   0.15100
O12   0.25050   0.18990   0.60350   0.18900
O13   0.18140   0.24670   0.26640   0.36400
O21   0.25770   0.03250   0.90240   0.18100
O22   0.12110   0.99070   0.18420   0.19500
O23   0.08360   0.38120   0.85080   0.49100
H11   0.08600   0.37200   0.47500 ?
H22   0.35000   0.31700   0.01300 ?
H1   0.50300   0.06800   0.83800   0.12000
H2   0.17600   0.17900   0.26600   0.02000