data_global
_amcsd_formula_title 'Ca2 H16 Li2 O26 P6'
loop_
_publ_author_name
'Averbuch-Pouchot M'
'Durif A'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 968
_journal_page_last 970
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. X.Structure of dicalcium
 dilithium cyclo-hexaphosphate octahydrate
 _cod_database_code 1007192
;
_database_code_amcsd 0010141
_chemical_formula_sum 'Ca Li P3 O13 H8'
_cell_length_a 7.767
_cell_length_b 10.144
_cell_length_c 7.225
_cell_angle_alpha 105.17
_cell_angle_beta 102.76
_cell_angle_gamma 84.95
_cell_volume 535.566
_exptl_crystal_density_diffrn      2.208
_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
Ca1   0.19038   0.24157   0.82356
Li1   0.50000   0.50000   0.00000
Li2   0.00000   0.00000   0.00000
P1   0.79668   0.47973   0.75598
P2   0.53968   0.27279   0.59329
P3   0.19655   0.25937   0.32919
O1   0.70390   0.56070   0.91100
O2   0.95000   0.39050   0.80710
O3   0.65500   0.39180   0.57940
O4   0.14890   0.42050   0.35930
O5   0.44530   0.32600   0.75720
O6   0.64680   0.14340   0.58550
O7   0.40820   0.25610   0.38500
O8   0.14560   0.18830   0.11830
O9   0.12340   0.21340   0.47430
O10   0.61830  -0.04150   0.21720
O11   0.02030   0.94360   0.27590
O12   0.27840   0.61300   0.81940
O13   0.25390   0.89180   0.98220
H1   0.37600  -0.00600   0.66600
H2   0.35400  -0.00700   0.83900
H3   0.03200   0.02700   0.35300
H4   0.11500   0.90900   0.30300
H5   0.29000   0.59600   0.71100
H6   0.20300   0.57800   0.80500
H7   0.25900   0.80700   0.92900
H8   0.32200   0.91400   0.08500