data_global
_chemical_name_mineral 'Scholzite'
loop_
_publ_author_name
'Taxer K J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 198 
_journal_year 1992
_journal_page_first 239
_journal_page_last 253
_publ_section_title
;
 Order-disorder and polymorphism of the compound
 with the composition of scholzite, CaZn2[PO4]2*2H2O
 Note: hypothetical idealized structure
 Note: x(O2) corrected
;
_database_code_amcsd 0011011
_chemical_formula_sum 'Ca Zn2 P2 O10 H4'
_cell_length_a 17.149
_cell_length_b 7.412
_cell_length_c 6.667
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 847.432
_exptl_crystal_density_diffrn      3.110
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca   0.00000   0.37500   0.25000
Zn   0.27270   0.50000   0.18750
P   0.35000   0.18750   0.43750
O1   0.43750   0.05000   0.43750
O2   0.27270   0.05000   0.43750
O3   0.15000   0.20000   0.12500
Wat4   0.05000   0.15000   0.43750
O5   0.35000   0.30000   0.25000