data_[Na2Ce2Cu4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [9.5424]
_cell_length_b [9.5424]
_cell_length_c [8.5948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NaCe(CuBr4)2]
_chemical_formula_sum '[Na2 Ce2 Cu4 Br16]'
_cell_volume [782.6228]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.7500  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  2  0.0000  0.5000  0.2500  1.0
  Br  Br4  8  0.0000  0.1989  0.6796  1.0
  Br  Br5  8  0.0000  0.3197  0.0490  1.0
]