data_global
_amcsd_formula_title 'Ca0.504 Cs2 Nb6 O24 P3'
loop_
_publ_author_name
'Costentin G'
'Borel M'
'Grandin A'
'Leclaire A'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 90 
_journal_year 1991
_journal_page_first 279
_journal_page_last 284
_publ_section_title
;
 A niobium phosphate with a tunnel structure: Ca0.5Cs2Nb6P3O24
 _cod_database_code 1001859
;
_database_code_amcsd 0013695
_chemical_formula_sum 'Cs1.998 Nb6 P3 O24 Ca.504'
_cell_length_a 13.3799
_cell_length_b 13.3799
_cell_length_c 10.3713
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1607.939
_exptl_crystal_density_diffrn      4.090
_symmetry_space_group_name_H-M 'R 3 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs1   0.35870   0.33530   0.22110   0.33300
Nb1   0.52097   0.16219   0.01378   1.00000
P1   0.22882   0.00000   0.00000   1.00000
O1   0.14860   0.97760   0.11590   1.00000
O2   0.18000   0.00000   0.50000   1.00000
O3   0.34590   0.10750   0.02540   1.00000
O4   0.47460   0.00000   0.00000   1.00000
O5   0.67700   0.21740   0.03000   1.00000
Ca1   0.00000   0.00000   0.00000   0.50400