data_[Ce8Ni4F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.8426]
_cell_length_b [10.2885]
_cell_length_c [10.4157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ce2NiF11]
_chemical_formula_sum '[Ce8 Ni4 F44]'
_cell_volume [947.5940]
_cell_formula_units_Z [4]
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
[
  Ce  Ce0  8  0.1121  0.8024  0.5000  1
  Ni  Ni1  4  0.0000  0.5000  0.2500  1
  F  F2  16  0.0918  0.3920  0.1375  1
  F  F3  16  0.1811  0.1248  0.1734  1
  F  F4  8  0.1370  0.2432  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]