data_global
_chemical_name_mineral 'Overite'
loop_
_publ_author_name
'Moore P B'
'Araki T'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 692
_journal_page_last 702
_publ_section_title
;
 Overite, segelerite, and jahnsite: a study in combinatorial polymorphism
;
_database_code_amcsd 0000582
_chemical_formula_sum 'Ca Mg Al P2 O13 H9'
_cell_length_a 14.723
_cell_length_b 18.746
_cell_length_c 7.107
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1961.513
_exptl_crystal_density_diffrn      2.508
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+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
Ca   0.00588   0.24948   0.24240   0.01646
Mg   0.12809   0.50033   0.75180   0.01355
Al   0.25686   0.25054   0.24900   0.00823
P1   0.38899   0.34886   0.49360   0.00912
P2   0.12512   0.34936   0.50560   0.00925
O1   0.34310   0.31920   0.67070   0.01646
O2   0.35660   0.30740   0.31770   0.01064
O3   0.49200   0.33180   0.51040   0.01469
O4   0.37380   0.42850   0.47660   0.01583
O5   0.15510   0.30600   0.68080   0.01368
O6   0.17130   0.32240   0.32540   0.01520
O7   0.02220   0.33120   0.48620   0.01153
O8   0.13900   0.42890   0.53040   0.01317
O-H   0.25490   0.29120  -0.00040   0.01064
Wat1   0.26830   0.50800   0.74950   0.01786
Wat2  -0.01290   0.49520   0.75270   0.02318
Wat3   0.13350   0.42100   0.95910   0.01887
Wat4   0.11820   0.57920   0.54360   0.01849