data_global
_chemical_name_mineral 'Apatite-(CaF)'
loop_
_publ_author_name
'Fleet M E'
'Pan Y'
_journal_name_full 'American Mineralogist'
_journal_volume 80 
_journal_year 1995
_journal_page_first 329
_journal_page_last 335
_publ_section_title
;
 Site preference of rare earth elements in fluorapatite
 Sample: La-FAp
;
_database_code_amcsd 0001727
_chemical_formula_sum 'Ca4.497 Na.178 La.325 (P2.856 Si.144) O12 F'
_cell_length_a 9.4123
_cell_length_b 9.4123
_cell_length_c 6.9080
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 529.998
_exptl_crystal_density_diffrn      3.340
_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   0.00060   0.88800   0.01115
Na1   0.66667   0.33333   0.00060   0.08900   0.01115
La1   0.66667   0.33333   0.00060   0.02300   0.01115
Ca2   0.98989   0.24018   0.25000   0.90700   0.01018
La2   0.98989   0.24018   0.25000   0.09300   0.01018
P   0.36898   0.39808   0.25000   0.95200   0.00681
Si   0.36898   0.39808   0.25000   0.04800   0.00681
O1   0.48470   0.32680   0.25000   1.00000   0.01279
O2   0.46630   0.58720   0.25000   1.00000   0.01507
O3   0.25680   0.34060   0.07160   1.00000   0.01773
F   0.00000   0.00000   0.25000   1.00000   0.03863