data_global
_chemical_name_mineral 'Ardealite'
loop_
_publ_author_name
'Sakae T'
'Nagata H'
'Sudo T'
_journal_name_full 'American Mineralogist'
_journal_volume 63 
_journal_year 1978
_journal_page_first 520
_journal_page_last 527
_publ_section_title
;
 The crystal structure of synthetic calcium phosphate - sulfate hydrate,
 Ca2HPO4SO4.4H2O, and its relation to brushite and gypsum
;
_database_code_amcsd 0000666
_chemical_formula_sum 'Ca (S.5 P.5) O6 H4'
_cell_length_a 5.721
_cell_length_b 30.992
_cell_length_c 6.250
_cell_angle_alpha 90
_cell_angle_beta 117.26
_cell_angle_gamma 90
_cell_volume 985.083
_exptl_crystal_density_diffrn      2.314
_symmetry_space_group_name_H-M 'C 1 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ca1   0.50000   0.03830   0.25000   1.00000   0.01900
Ca2   0.59000   0.21200   0.42800   1.00000   0.01393
S1   0.99900   0.03880   0.74700   0.50000   0.00760
P1   0.99900   0.03880   0.74700   0.50000   0.00760
S2   0.59200   0.21110   0.93700   0.50000   0.02026
P2   0.59200   0.21110   0.93700   0.50000   0.02026
O1   0.94200   0.07000   0.54900   1.00000   0.02153
O2   0.03800   0.06320   0.97600   1.00000   0.02280
O3   0.77100   0.00980   0.67600   1.00000   0.02533
O4   0.25700   0.01510   0.82800   1.00000   0.02533
O5   0.41200   0.18520   0.71400   1.00000   0.03926
O6   0.73500   0.18090   0.14000   1.00000   0.02533
O7   0.77500   0.23540   0.87200   1.00000   0.02786
O8   0.43200   0.23990   0.00100   1.00000   0.01900
Wat1   0.37300   0.08750   0.49300   1.00000   0.03293
Wat2   0.61400   0.09310   0.01900   1.00000   0.02533
Wat3   0.22700   0.16200   0.20000   1.00000   0.03926
Wat4   0.94000   0.15540   0.65400   1.00000   0.03926