[CIF]
data_Ba14Na8CaN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.47138233
_cell_length_b   11.47138233
_cell_length_c   21.67637000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba14Na8CaN6
_chemical_formula_sum   'Ba28 Na16 Ca2 N12'
_cell_volume   2470.29430259
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  6.99077511  7.04948751  9.75818154  1
  Ba  Ba1  1  6.99077511  7.04948751  1.08000346  1
  Ba  Ba2  1  7.35109123  6.18923854  18.67644710  1
  Ba  Ba3  1  7.35109123  6.18923854  13.83810790  1
  Ba  Ba4  1  2.43579891  3.27161248  13.83810790  1
  Ba  Ba5  1  2.43579891  3.27161248  18.67644710  1
  Ba  Ba6  1  1.87095952  2.52944508  1.08000346  1
  Ba  Ba7  1  1.87095952  2.52944508  9.75818154  1
  Ba  Ba8  1  0.00000000  0.00000000  14.12250188  1
  Ba  Ba9  1  0.00000000  0.00000000  18.39205312  1
  Ba  Ba10  1  0.00000000  0.00000000  3.28431688  1
  Ba  Ba11  1  0.00000000  0.00000000  7.55386812  1
  Ba  Ba12  1  -2.60964771  9.57893259  11.91818846  1
  Ba  Ba13  1  -2.60964771  9.57893259  20.59636654  1
  Ba  Ba14  1  -1.68449220  9.46085102  7.83826210  1
  Ba  Ba15  1  -1.68449220  9.46085102  2.99992290  1
  Ba  Ba16  1  7.42018336  0.47365750  18.67644710  1
  Ba  Ba17  1  7.42018336  0.47365750  13.83810790  1
  Ba  Ba18  1  8.34533888  0.35557593  1.08000346  1
  Ba  Ba19  1  8.34533888  0.35557593  9.75818154  1
  Ba  Ba20  1  3.86473165  7.40506344  11.91818846  1
  Ba  Ba21  1  3.86473165  7.40506344  20.59636654  1
  Ba  Ba22  1  3.29989226  6.66289604  7.83826210  1
  Ba  Ba23  1  3.29989226  6.66289604  2.99992290  1
  Ba  Ba24  1  -1.61540006  3.74526997  7.83826210  1
  Ba  Ba25  1  -1.61540006  3.74526997  2.99992290  1
  Ba  Ba26  1  -1.25508394  2.88502101  11.91818846  1
  Ba  Ba27  1  -1.25508394  2.88502101  20.59636654  1
  Na  Na28  1  7.31400998  6.42606729  5.41909250  1
  Na  Na29  1  2.24923982  3.12108480  5.41909250  1
  Na  Na30  1  5.73569117  3.31150284  11.03576511  1
  Na  Na31  1  5.73569117  3.31150284  16.25727750  1
  Na  Na32  1  5.73569117  3.31150284  21.47878989  1
  Na  Na33  1  5.73569117  3.31150284  3.56849409  1
  Na  Na34  1  5.73569117  3.31150284  7.26969091  1
  Na  Na35  1  -1.90813253  9.54715210  16.25727750  1
  Na  Na36  1  7.64382370  0.38735642  5.41909250  1
  Na  Na37  1  0.00000000  6.62300568  18.10787591  1
  Na  Na38  1  0.00000000  6.62300568  0.19758011  1
  Na  Na39  1  0.00000000  6.62300568  5.41909250  1
  Na  Na40  1  0.00000000  6.62300568  10.64060489  1
  Na  Na41  1  0.00000000  6.62300568  14.40667909  1
  Na  Na42  1  3.48645135  6.81342371  16.25727750  1
  Na  Na43  1  -1.57831882  3.50844122  16.25727750  1
  Ca  Ca44  1  0.00000000  0.00000000  10.83818500  1
  Ca  Ca45  1  0.00000000  0.00000000  0.00000000  1
  N  N46  1  6.55541894  8.00994586  12.31894119  1
  N  N47  1  6.55541894  8.00994586  20.19561381  1
  N  N48  1  1.25685627  1.67218641  12.31894119  1
  N  N49  1  1.25685627  1.67218641  20.19561381  1
  N  N50  1  -3.65910712  9.68213226  1.48075619  1
  N  N51  1  -3.65910712  9.68213226  9.35742881  1
  N  N52  1  9.39479829  0.25237625  12.31894119  1
  N  N53  1  9.39479829  0.25237625  20.19561381  1
  N  N54  1  4.47883490  8.26232211  9.35742881  1
  N  N55  1  4.47883490  8.26232211  1.48075619  1
  N  N56  1  -0.81972777  1.92456266  1.48075619  1
  N  N57  1  -0.81972777  1.92456266  9.35742881  1
[/CIF]
