data_global
_chemical_name_mineral 'Apatite-(CaF)'
loop_
_publ_author_name
'Hughes J M'
'Cameron M'
'Mariano A N'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 1165
_journal_page_last 1173
_publ_section_title
;
 Rare-earth-element ordering and structural variations in natural
 rare-earth-bearing apatites
 sample from Pajarito, New Mexico
;
_database_code_amcsd 0001377
_chemical_formula_sum 'Ca3.895 Na.474 Ce.631 (P2.841 Si.159) O12 F'
_cell_length_a 9.4052
_cell_length_b 9.4052
_cell_length_c 6.9125
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 529.544
_exptl_crystal_density_diffrn      3.505
_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
_atom_site_U_iso_or_equiv
Ca1   0.66667   0.33333  -0.00120   0.67700   0.01249
Na1   0.66667   0.33333  -0.00120   0.23700   0.01249
Ce1   0.66667   0.33333  -0.00120   0.08600   0.01249
Ca2   0.98860   0.23885   0.25000   0.84700   0.01121
Ce2   0.98860   0.23885   0.25000   0.15300   0.01121
P   0.36881   0.39692   0.25000   0.94700   0.00798
Si   0.36881   0.39692   0.25000   0.05300   0.00798
O1   0.48210   0.32330   0.25000   1.00000   0.01444
O2   0.46710   0.58530   0.25000   1.00000   0.01710
O3   0.25570   0.33960   0.07210   1.00000   0.02090
F   0.00000   0.00000   0.25000   1.00000   0.03166