data_global
_chemical_name_mineral 'Khanneshite'
loop_
_publ_author_name
'Belovitskaya Y V'
'Pekov I V'
'Gobechiya E R'
'Kabalov Y K'
'Schneider J'
_journal_name_full 'Crystallography Reports'
_journal_volume 47 
_journal_year 2002
_journal_page_first 39
_journal_page_last 42
_publ_section_title
;
 Determination of the crystal structure of khanneshite by the Rietveld method
;
_database_code_amcsd 0012375
_chemical_compound_source 'Khibiny massif, Kola Peninsula, Russia'
_chemical_formula_sum 'Na2.58 Ca.87 Sr.63 Ba1.08 Ce.48 La.18 Nd.15 Pr.03 C5 O15'
_cell_length_a 10.5790
_cell_length_b 10.5790
_cell_length_c 6.5446
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 634.312
_exptl_crystal_density_diffrn      3.748
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,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
NaA   0.52460   0.47540   0.30800   0.86000   0.01393
CaA   0.52460   0.47540   0.30800   0.14000   0.01393
SrB   0.84030   0.15970   0.00000   0.21000   0.01077
BaB   0.84030   0.15970   0.00000   0.36000   0.01077
CeB   0.84030   0.15970   0.00000   0.16000   0.01077
LaB   0.84030   0.15970   0.00000   0.06000   0.01077
NdB   0.84030   0.15970   0.00000   0.05000   0.01077
PrB   0.84030   0.15970   0.00000   0.01000   0.01077
CaB   0.84030   0.15970   0.00000   0.15000   0.01077
C1   0.79900   0.20100   0.54100   1.00000   0.01773
C2   0.00000   0.00000   0.83800   1.00000   0.01267
C3   0.33333   0.66667   0.50000   1.00000   0.03800
O1   0.37900   0.08500   0.62900   1.00000   0.02026
O2   0.92800   0.07200   0.34400   1.00000   0.04686
O3   0.40500   0.59500   0.48600   1.00000   0.02406
O4   0.77400   0.22600   0.35900   1.00000   0.03040