data_[Cs1Ce1Ni1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.0697]
_cell_length_b [7.0697]
_cell_length_c [8.2701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CsCeNiBr6]
_chemical_formula_sum '[Cs1 Ce1 Ni1 Br6]'
_cell_volume [357.9672]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.0000  1.0
  Ce  Ce1  1  0.6667  0.3333  0.5000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  6  0.3045  0.0210  0.6902  1.0
]