data_global
_chemical_name_mineral 'Chlorapatite'
loop_
_publ_author_name
'Hughes J M'
'Cameron M'
'Crowley K D'
_journal_name_full 'American Mineralogist'
_journal_volume 75 
_journal_year 1990
_journal_page_first 295
_journal_page_last 304
_publ_section_title
;
 Crystal structures of natural ternary apatites: Solid solution in the
 Ca5(PO4)3X (X = F,OH,Cl) system
;
_database_code_amcsd 0001291
_chemical_formula_sum 'Ca5 P3 O12.24 Cl.47 F.29 H.24'
_cell_length_a 9.4877
_cell_length_b 18.9628
_cell_length_c 6.8224
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 119.9739
_cell_volume 1063.274
_exptl_crystal_density_diffrn      3.196
_symmetry_space_group_name_H-M 'P 1 1 21/b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2-z'
  '-x,1/2-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
Ca11   0.33130   0.58243   0.00200   1.00000   0.01444
Ca12   0.33560   0.58434   0.49800   1.00000   0.01912
Ca21   0.25110   0.24809   0.24980   1.00000   0.01874
Ca22  -0.00380   0.62258   0.74920   1.00000   0.01874
Ca23   0.25500   0.37554   0.75030   1.00000   0.01887
P1   0.40180   0.43534   0.25050   1.00000   0.01279
P2   0.62920   0.26557   0.25080   1.00000   0.01292
P3   0.03120   0.45093   0.75020   1.00000   0.01292
O11   0.33460   0.49390   0.25100   1.00000   0.01786
O12   0.48800   0.32680   0.75110   1.00000   0.01786
O13   0.15340   0.58290   0.24920   1.00000   0.01786
O21   0.58940   0.48250   0.24650   1.00000   0.02064
O22   0.53460   0.31210   0.24900   1.00000   0.02052
O23   0.12420   0.54470   0.74760   1.00000   0.02026
O31   0.34410   0.38000   0.07090   1.00000   0.02533
O32   0.73990   0.29260   0.07100   1.00000   0.02394
O33   0.08460   0.42170   0.57100   1.00000   0.02444
O34   0.35080   0.38170   0.43310   1.00000   0.02533
O35   0.73650   0.29320   0.43290   1.00000   0.02660
O36   0.08650   0.42580   0.93380   1.00000   0.02596
ClB   0.00000   0.25070   0.13000   0.23500   0.01760
ClA   0.00000   0.24940   0.43450   0.23500   0.01545
F   0.00000   0.25020   0.23700   0.29000   0.01773
O-H   0.00060   0.24980   0.34000   0.24000   0.00177