data_[Na1Ce1Tl2Br8]
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
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8756]
_cell_length_b [9.2389]
_cell_length_c [7.2099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaCe(TlBr4)2]
_chemical_formula_sum '[Na1 Ce1 Tl2 Br8]'
_cell_volume [457.7962]
_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
[
  Na  Na0  1  0.0000  0.5000  0.0000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.5000  0.2581  0.5000  1.0
  Br  Br3  4  0.2280  0.2256  0.8595  1.0
  Br  Br4  2  0.2306  0.0000  0.3271  1.0
  Br  Br5  2  0.2729  0.5000  0.3240  1.0
]