data_global
_chemical_name_mineral 'Montgomeryite'
loop_
_publ_author_name
'Fanfani L'
'Nunzi A'
'Zanazzi P F'
'Zanzari A R'
_journal_name_full 'American Mineralogist'
_journal_volume 61 
_journal_year 1976
_journal_page_first 12
_journal_page_last 14
_publ_section_title
;
 Additional data on the crystal structure of montgomeryite
;
_database_code_amcsd 0000486
_chemical_formula_sum 'Ca2 Al2 P3 Mg.5 O20 H14'
_cell_length_a 10.004
_cell_length_b 24.083
_cell_length_c 6.235
_cell_angle_alpha 90
_cell_angle_beta 91.60
_cell_angle_gamma 90
_cell_volume 1501.590
_exptl_crystal_density_diffrn      2.536
_symmetry_space_group_name_H-M 'C 1 2/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'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-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   0.00000   0.06132   0.25000   1.00000   0.01229
Ca2   0.00000   0.33082   0.25000   1.00000   0.01229
Al1   0.25000   0.25000   0.00000   1.00000   0.00608
Al2   0.00000   0.17177  -0.25000   1.00000   0.00583
P1   0.50000   0.29949  -0.25000   1.00000   0.00583
P2   0.25851   0.11538  -0.04081   1.00000   0.00747
Mg   0.00000   0.52867  -0.25000   0.50000   0.01469
O1   0.61740   0.26034   0.70925   1.00000   0.01115
O2   0.47001   0.33638   0.55580   1.00000   0.01596
O3   0.30933   0.17528   0.01354   1.00000   0.01064
O4   0.37484   0.08760  -0.15171   1.00000   0.01241
O5   0.13698   0.11774  -0.20051   1.00000   0.01229
O6   0.21850   0.08628   0.16276   1.00000   0.01963
O-H   0.37062   0.27169   0.21882   1.00000   0.00760
Wat1   0.16222   0.32941   0.53004   1.00000   0.02520
Wat2   0.11263   0.02580   0.58142   1.00000   0.01596
Wat3a   0.11621   0.46807   0.61315   0.50000   0.03420
Wat3b   0.12130   0.51881   0.02617   0.50000   0.03217