data_global
_chemical_name_mineral 'Apatite-(CaF)'
loop_
_publ_author_name
'Fleet M E'
'Pan Y'
_journal_name_full 'American Mineralogist'
_journal_volume 82 
_journal_year 1997
_journal_page_first 870
_journal_page_last 877
_publ_section_title
;
 Site preference of rare earth elements in fluorapatite: Binary (LREE+HREE)-
 substituted crystals
 Sample: Pr,Er-FAp
;
_database_code_amcsd 0001940
_chemical_formula_sum 'Ca5 P3 O12 F'
_cell_length_a 9.3845
_cell_length_b 9.3845
_cell_length_c 6.8901
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 525.507
_exptl_crystal_density_diffrn      3.187
_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_U_iso_or_equiv
Ca1   0.66667   0.33333   0.00067   0.01026
Ca2   0.99179   0.24187   0.25000   0.00843
P   0.36854   0.39757   0.25000   0.00614
O1   0.48390   0.32580   0.25000   0.01178
O2   0.46700   0.58760   0.25000   0.01381
O3   0.25640   0.34060   0.07100   0.01583
F   0.00000   0.00000   0.25000   0.02862