data_global
_chemical_name_mineral 'Deloneite'
loop_
_publ_author_name
'Rastsvetaeva R K'
'Khomyakov A P'
_journal_name_full 'Crystallography Reports'
_journal_volume 41 
_journal_year 1996
_journal_page_first 789
_journal_page_last 792
_publ_section_title
;
 Structural features of a new naturally occurring representative
 of the fluorapatite-deloneite series
;
_database_code_amcsd 0012350
_chemical_compound_source 'Khibini alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Ca3.3 Sr1.1 Na.3 Ce.3 P3 O12.333 (F.667 H.333)'
_cell_length_a 9.485
_cell_length_b 9.485
_cell_length_c 7.000
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 545.385
_exptl_crystal_density_diffrn      3.537
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+y,1/2+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
CaA1   0.33333   0.66667  -0.00420   0.20000   0.01077
SrA1   0.33333   0.66667  -0.00420   0.50000   0.01077
NaA1   0.33333   0.66667  -0.00420   0.30000   0.01077
CaA2   0.33333   0.66667   0.49870   1.00000   0.01140
CaA3   0.01280   0.25190   0.24960   0.70000   0.00874
SrA3   0.01280   0.25190   0.24960   0.20000   0.00874
CeA3   0.01280   0.25190   0.24960   0.10000   0.00874
P   0.63050   0.02900   0.24480   1.00000   0.00557
O1   0.32400   0.25400   0.42000   1.00000   0.02153
O2   0.15600   0.67100   0.24400   1.00000   0.01646
O3   0.53600   0.12100   0.26300   1.00000   0.01520
O4   0.35500   0.26300   0.06800   1.00000   0.01267
F   0.00000   0.00000   0.27600   0.66667   0.03546
O-H   0.00000   0.00000   0.27600   0.33333   0.03546