data_global
_chemical_name_mineral 'Apatite-(CaOH)'
loop_
_publ_author_name
'Wilson R M'
'Elliot J C'
'Dowker S E P'
_journal_name_full 'American Mineralogist'
_journal_volume 84 
_journal_year 1999
_journal_page_first 1406
_journal_page_last 1414
_publ_section_title
;
 Rietveld refinement of the crystallographic structure of human dental
 enamel apatites
 Sample: RC7 - enamel
;
_database_code_amcsd 0002302
_chemical_formula_sum 'Ca4.73 Na.1 Mg.05 P2.79 O11.99 H2'
_cell_length_a 9.4512
_cell_length_b 9.4512
_cell_length_c 6.8803
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 532.245
_exptl_crystal_density_diffrn      2.954
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-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_occupancy
Ca1   0.66667   0.33333   0.00420   0.97000
Na1   0.66667   0.33333   0.00420   0.02000
Mg1   0.66667   0.33333   0.00420   0.01000
Ca2   0.24570   0.98960   0.25000   0.93000
Na2   0.24570   0.98960   0.25000   0.02000
Mg2   0.24570   0.98960   0.25000   0.01000
P   0.39820   0.36860   0.25000   0.93000
O1   0.32830   0.48590   0.25000   0.89000
O2   0.57540   0.45510   0.25000   1.00000
O3   0.33590   0.25260   0.06990   0.88000
O-h   0.00000   0.00000   0.18810   0.52000
H   0.00000   0.00000   0.06080   1.00000