data_global
_chemical_name_mineral 'Hydroxylapatite'
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: RFB - enamel
;
_database_code_amcsd 0002291
_chemical_formula_sum 'Ca4.76 Na.1 Mg.02 P2.85 O12.04 H1.78'
_cell_length_a 9.4586
_cell_length_b 9.4586
_cell_length_c 6.8811
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 533.141
_exptl_crystal_density_diffrn      2.967
_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   0.00260   0.97000
Na1   0.66667   0.33333   0.00260   0.02000
Mg1   0.66667   0.33333   0.00260   0.01000
Ca2   0.24600   0.98990   0.25000   0.94000
Na2   0.24600   0.98990   0.25000   0.02000
P   0.39910   0.36940   0.25000   0.95000
O1   0.33370   0.48750   0.25000   0.91000
O2   0.58040   0.46000   0.25000   0.97000
O3   0.34140   0.25790   0.07040   0.90000
O-h   0.00000   0.00000   0.18030   0.50000
H   0.00000   0.00000   0.06080   0.89000