[CIF]
data_CsNiF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13381192
_cell_length_b   8.13381192
_cell_length_c   8.13381192
_cell_angle_alpha   43.54656492
_cell_angle_beta   43.54656492
_cell_angle_gamma   43.54656492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsNiF3
_chemical_formula_sum   'Cs3 Ni3 F9'
_cell_volume   231.77031122
_cell_formula_units_Z   3
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
  Cs  Cs0  1  0.00000000  -0.00000000  11.02490739  1
  Cs  Cs1  1  -0.00000000  -0.00000000  15.76227092  1
  Cs  Cs2  1  0.00000000  -0.00000000  6.28754386  1
  F  F3  1  0.00000000  -1.74193168  3.67496913  1
  F  F4  1  1.50855709  0.87096584  3.67496913  1
  F  F5  1  -1.50855709  0.87096584  3.67496913  1
  F  F6  1  1.68403447  0.97227775  8.65156117  1
  F  F7  1  -1.68403447  0.97227775  8.65156117  1
  F  F8  1  0.00000000  -1.94455551  8.65156117  1
  F  F9  1  0.00000000  1.94455551  13.39825361  1
  F  F10  1  1.68403447  -0.97227775  13.39825361  1
  F  F11  1  -1.68403447  -0.97227775  13.39825361  1
  Ni  Ni12  1  0.00000000  -0.00000000  2.64132387  1
  Ni  Ni13  1  0.00000000  -0.00000000  -0.00000000  1
  Ni  Ni14  1  0.00000000  -0.00000000  19.40849091  1
[/CIF]
