data_global
_amcsd_formula_title 'Cu2 H24 N2 O26 P6'
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Durif A'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 47 
_journal_year 1991
_journal_page_first 1148
_journal_page_last 1150
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. XI. Structure of
 ammoniumcopper cyclo-hexaphosphate octahydrate
 _cod_database_code 1007195
;
_database_code_amcsd 0010257
_chemical_formula_sum 'Cu P3 O13 N H12'
_cell_length_a 7.413
_cell_length_b 9.334
_cell_length_c 9.634
_cell_angle_alpha 116.23
_cell_angle_beta 107.98
_cell_angle_gamma 83.1
_cell_volume 568.657
_exptl_crystal_density_diffrn      2.281
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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   0.50000   0.50000   0.00000
P1   0.05880   0.77460   0.35030
P2   0.82240   0.21588   0.32442
P3   0.73430   0.87383   0.14231
O1   0.20490   0.88620   0.37590
O2   0.07590   0.60250   0.24600
O3   0.03760   0.79880   0.51930
O4   0.84970   0.83100   0.28870
O5   0.69700   0.35420   0.37610
O6   0.94010   0.20670   0.22220
O7   0.69030   0.05800   0.23780
O8   0.55140   0.78500   0.06420
O9   0.86030   0.85500   0.04100
O10   0.23830   0.96280   0.13960
O11   0.23790   0.55750   0.00670
O12   0.57290   0.54190   0.22500
O13   0.41020   0.18560   0.52420
N1   0.29360   0.34810   0.30920
H1   0.31400   0.88800   0.08900
H2   0.22600   0.92300   0.19500
H3   0.84700   0.48600   0.06300
H4   0.20600   0.56700   0.08800
H5   0.58700   0.63700   0.29300
H6   0.60500   0.47700   0.24900
H7   0.33800   0.10500   0.49300
H8   0.50700   0.84700   0.45800
H9   0.25400   0.44800   0.34500
H10   0.29300   0.29000   0.37300
H11   0.37900   0.34800   0.28400
H12   0.21000   0.31400   0.22100